7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid

C22H17N3O3 — CID 20791091

IUPAC7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H17N3O3/c1-14-12-17(22(27)28)20-18(26)13-19(24-15-8-4-2-5-9-15)25(21(20)23-14)16-10-6-3-7-11-16/h2-13,24H,1H3,(H,27,28)
InChIKeyIBVDLPJEBGMRDZ-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.14
Rot. Bonds4

About 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid

7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid (PubChem CID 20791091) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
PubChem CID20791091
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H17N3O3/c1-14-12-17(22(27)28)20-18(26)13-19(24-15-8-4-2-5-9-15)25(21(20)23-14)16-10-6-3-7-11-16/h2-13,24H,1H3,(H,27,28)
InChIKeyIBVDLPJEBGMRDZ-UHFFFAOYSA-N
XLogP4.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Quinolinecarboxylic acid, 2-(phenylamino)-
CID 3075053
3-Acyl-2,6-diaminopyridine deriv. 2d
CID 5330818
4-Quinolinecarboxylic acid, 2-((2-methylphenyl)amino)-
CID 3075054
4-Quinolinecarboxylic acid, 2-[(4-methylphenyl)amino]-
CID 3075056
2-{[(6-Methyl-2-pyridinyl)amino]carbonyl}benzoic acid
CID 768869
2-[(6-Methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid
CID 72947479
Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-
CID 41115
4-Quinolinecarboxylic acid, 2-((3-methylphenyl)amino)-
CID 3075055
Anthranilic acid, N,N'-(6-methylpyrimidin-2,4-ylene)di-, hydrochloride
CID 13177456
2-Benzamido-6-methylpyridine-3,4-dicarboxylic acid
CID 76313649
2-[(4-Ethylphenyl)amino]quinoline-4-carboxylic acid
CID 4166547
2-(2-Carboxyanilino)quinoline
CID 4352419

Frequently Asked Questions

What is the IUPAC name of 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid (CID 20791091) is 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid?
The InChIKey is IBVDLPJEBGMRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14-12-17(22(27)28)20-18(26)13-19(24-15-8-4-2-5-9-15)25(21(20)23-14)16-10-6-3-7-11-16/h2-13,24H,1H3,(H,27,28).
What are the key properties of 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid?
7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid has a molecular weight of 371.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 20791091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).