Name: Name:Methyl 7-chloroisoquinoline-3-carboxylate
Brand: AABLOCKS
SKU: AA00D5FO
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00D5FO

Chemical Name: Methyl 7-chloroisoquinoline-3-carboxylate

CAS Number: 365998-38-5

Molecular Formula: C11H8ClNO2

Molecular Weight: 221.6397

MDL Number: MFCD17926306

SMILES: COC(=O)C1=NC=C2C=C(C=CC2=C1)Cl

Properties

Complexity: 247

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.9

Downstream Synthesis Route

365998-38-5

7-chloroisoquinoline-3-carboxylicacidhydrochloride

[1]Locationinpatent:experimentalpartYoshikawa,Kenji;Kobayashi,Shozo;Nakamoto,Yumi;Haginoya,Noriyasu;Komoriya,Satoshi;Yoshino,Toshiharu;Nagata,Tsutomu;Mochizuki,Akiyoshi;Watanabe,Kengo;Suzuki,Makoto;Kanno,Hideyuki;Ohta,Toshiharu[BioorganicandMedicinalChemistry,2009,vol.17,#24,p.8221-8233]

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1577301,2005,A1Locationinpatent:Page/Pagecolumn96

[3]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1270557,2003,A1

[4]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1405852,2004,A1Locationinpatent:Page88

79-37-8

120301-74-8

365998-38-5

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-US2005/20645,2005,A1

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1405852,2004,A1Locationinpatent:Page87

120301-74-8

365998-38-5

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1577301,2005,A1Locationinpatent:Page/Pagecolumn95

[2]CurrentPatentAssignee:SENTINELONCOLOGY-WO2010/7374,2010,A1Locationinpatent:Page/Pagecolumn45-46

(+/-)-N-Formyl-(4-chlorophenyl)alaninemethylester

79-37-8

365998-38-5

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1270557,2003,A1

C11H10ClNO2

365998-38-5

[1]Locationinpatent:experimentalpartYoshikawa,Kenji;Kobayashi,Shozo;Nakamoto,Yumi;Haginoya,Noriyasu;Komoriya,Satoshi;Yoshino,Toshiharu;Nagata,Tsutomu;Mochizuki,Akiyoshi;Watanabe,Kengo;Suzuki,Makoto;Kanno,Hideyuki;Ohta,Toshiharu[BioorganicandMedicinalChemistry,2009,vol.17,#24,p.8221-8233]

365998-38-5 | Methyl 7-chloroisoquinoline-3-carboxylate