4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid

C25H20N2O4 — CID 54071769

IUPAC4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid
SMILESCc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C25H20N2O4/c1-15-12-23(21-13-18(24(28)29)10-11-22(21)27-15)26-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)25(30)31/h2-13H,14H2,1H3,(H,26,27)(H,28,29)(H,30,31)
InChIKeyMGYKMEVZBSLFGC-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.22
Rot. Bonds6

About 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid

4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid (PubChem CID 54071769) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid
PubChem CID54071769
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid
SMILESCc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C25H20N2O4/c1-15-12-23(21-13-18(24(28)29)10-11-22(21)27-15)26-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)25(30)31/h2-13H,14H2,1H3,(H,26,27)(H,28,29)(H,30,31)
InChIKeyMGYKMEVZBSLFGC-UHFFFAOYSA-N
XLogP5.22
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-Dihydro-5,5-dimethyl-8-(quinolin-3-yl)naphthalen-2-carboxamido)benzoic acid
CID 445091
2-(2,4-Dimethylphenyl)quinoline-4-carboxylic acid
CID 230602
4'-[(2,3-Dimethyl-5-{[(1s)-1-Phenylpropyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid
CID 44543661
4''-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
CID 46233002
4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
CID 46233003
(R)-4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
CID 71074396
3-(9-Acridinylamino)benzoic acid
CID 149241
2-[2-(2,4-Dimethylanilino)-2-oxoethyl]-4-quinolinecarboxylic acid
CID 778217
2-[4-(Acetylamino)phenyl]quinoline-4-carboxylic acid
CID 700796
2-(Naphthalen-2-yl)quinoline-4-carboxylic acid
CID 680333
2-Methylquinoline-6-carboxylic acid
CID 604483
AMPD2 inhibitor 1
CID 91970654

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid (CID 54071769) is 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid is Cc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2cc(C(=O)O)ccc2n1.
What is the InChIKey of 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid?
The InChIKey is MGYKMEVZBSLFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-15-12-23(21-13-18(24(28)29)10-11-22(21)27-15)26-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)25(30)31/h2-13H,14H2,1H3,(H,26,27)(H,28,29)(H,30,31).
What are the key properties of 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid?
4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid has a molecular weight of 412.45 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 54071769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).