5-Amino-6-(6-amino-7-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acid

HCID 323962

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Basic information

CAS: 64678-98-4
Standard SMILES: COC1=C(N)C(=O)c2ccc(-c3nc(C(=O)O)c(C)cc3N)nc2C1=O
InChIKey: PVZSTIMVWSUJHN-UHFFFAOYSA-N
Molecular formula: C17H14N4O5
Average molar mass: 354.32 g/mol
Monoisotopic mass: 354.09641956

Names & identifiers

Preferred name: 5-Amino-6-(6-amino-7-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acid
IUPAC: 5-amino-6-(6-amino-7-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acid

Names & synonyms

64678-98-4NSC2874455-amino-6-(6-amino-7-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acidDTXSID70314686ISODESTRIOXYPHENYL STREPTONIGRINNSC-2874455-Amino-6-(6-amino-7-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-3-methylpyridine-2-carboxylic acid

Database identifiers

CAS: 64678-98-4
PubChem CID: 323962
DTXSID: DTXSID70314686

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 158 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 9
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 664

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