4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid

C25H20N2O3 — CID 3395284

IUPAC4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(C(=O)O)cc3)c2C)cc1
InChIInChI=1S/C25H20N2O3/c1-15-7-9-17(10-8-15)23-16(2)22(20-5-3-4-6-21(20)27-23)24(28)26-19-13-11-18(12-14-19)25(29)30/h3-14H,1-2H3,(H,26,28)(H,29,30)
InChIKeyBZTDCTSQYSPBLI-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.47
Rot. Bonds4

About 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid

4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid (PubChem CID 3395284) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
PubChem CID3395284
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(C(=O)O)cc3)c2C)cc1
InChIInChI=1S/C25H20N2O3/c1-15-7-9-17(10-8-15)23-16(2)22(20-5-3-4-6-21(20)27-23)24(28)26-19-13-11-18(12-14-19)25(29)30/h3-14H,1-2H3,(H,26,28)(H,29,30)
InChIKeyBZTDCTSQYSPBLI-UHFFFAOYSA-N
XLogP5.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
CID 3482413
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 4101580
3-methyl-2-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185223
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid (CID 3395284) is 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid is Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(C(=O)O)cc3)c2C)cc1.
What is the InChIKey of 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid?
The InChIKey is BZTDCTSQYSPBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-15-7-9-17(10-8-15)23-16(2)22(20-5-3-4-6-21(20)27-23)24(28)26-19-13-11-18(12-14-19)25(29)30/h3-14H,1-2H3,(H,26,28)(H,29,30).
What are the key properties of 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid?
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid has a molecular weight of 396.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 3395284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).