[(1-Chloro-4-methoxy-isoquinoline-3-carbonyl)-amino]-acetic acid methyl ester

HCID 86014583
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Basic information

Standard SMILES
COC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1OC
InChIKey
OKTUQADGFNJDOG-UHFFFAOYSA-N
Molecular formula
C14H13ClN2O4
Average molar mass
308.71 g/mol
Monoisotopic mass
308.0563846

Names & identifiers

Preferred name
[(1-Chloro-4-methoxy-isoquinoline-3-carbonyl)-amino]-acetic acid methyl ester
IUPAC
methyl 2-[(1-chloro-4-methoxyisoquinoline-3-carbonyl)amino]acetate

Names & synonyms

SCHEMBL523982OKTUQADGFNJDOG-UHFFFAOYSA-N[(1-chloro-4-methoxy-isoquinoline-3-carbonyl)-amino]-acetic acid methyl ester

Database identifiers

PubChem CID
86014583

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
77.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
21

Related reactions

9 records
New reaction record

Linked notes

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