(3-Bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetic acid

HCID 17859108
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Basic information

Standard SMILES
O=C(O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Br)c1
InChIKey
GKYCPTICIMFSJK-UHFFFAOYSA-N
Molecular formula
C18H13BrN2O3
Average molar mass
385.2 g/mol
Monoisotopic mass
384.01095

Names & identifiers

Preferred name
(3-Bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetic acid
IUPAC
2-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]acetic acid

Names & synonyms

SCHEMBL2433435GKYCPTICIMFSJK-UHFFFAOYSA-N(3-bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetic acid

Database identifiers

PubChem CID
17859108

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
79.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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