4-(8-(3-Nitrophenyl)-(1,7)naphthyridin-6-yl)benzoic acid

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Basic information

CAS: 207279-23-0
Standard SMILES: O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc([N+](=O)[O-])c3)n2)cc1
InChIKey: QTNUWEKKZHSUQO-UHFFFAOYSA-N
Molecular formula: C21H13N3O4
Average molar mass: 371.3 g/mol
Monoisotopic mass: 371.0906059

Overview

a phosphodiesterase type 4D inhibitor; structure in first source

Names & identifiers

Preferred name: 4-(8-(3-Nitrophenyl)-(1,7)naphthyridin-6-yl)benzoic acid
IUPAC: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid

Names & synonyms

4-[8-(3-nitrophenyl)-[1,7]naphthyridin-6-yl]benzoic acid4-(8-(3-Nitrophenyl)-(1,7)naphthyridin-6-yl)benzoic acid4-NO2Ph-NBzCOOHRefChem:973054-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic Acid207279-23-04-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic acidISK95MWA33CHEMBL74078Benzoic acid, 4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)-Benzoic acid, 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]-NPV

Show more names

UNII-ISK95MWA33SCHEMBL21067893DTXSID80433973BDBM50085135DB08299PD004582NS00068363Q27097520

Database identifiers

CAS: 207279-23-0
PubChem CID: 9999276
DTXSID: DTXSID80433973
ChEMBL: CHEMBL74078
UNII: ISK95MWA33
Nikkaji: J2.542.579K

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 572

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Related reactions

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Compound notes

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