1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid

C24H18N2O4 — CID 174692298

IUPAC1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESCc1ccc(-c2ccccc2NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H18N2O4/c1-15-10-12-16(13-11-15)17-6-2-4-8-20(17)25-24(30)26-14-19(23(28)29)22(27)18-7-3-5-9-21(18)26/h2-14H,1H3,(H,25,30)(H,28,29)
InChIKeyKBMYMPPHIGPKEN-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.76
Rot. Bonds3

About 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid

1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 174692298) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID174692298
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESCc1ccc(-c2ccccc2NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H18N2O4/c1-15-10-12-16(13-11-15)17-6-2-4-8-20(17)25-24(30)26-14-19(23(28)29)22(27)18-7-3-5-9-21(18)26/h2-14H,1H3,(H,25,30)(H,28,29)
InChIKeyKBMYMPPHIGPKEN-UHFFFAOYSA-N
XLogP4.76
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid (CID 174692298) is 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid is Cc1ccc(-c2ccccc2NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is KBMYMPPHIGPKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-15-10-12-16(13-11-15)17-6-2-4-8-20(17)25-24(30)26-14-19(23(28)29)22(27)18-7-3-5-9-21(18)26/h2-14H,1H3,(H,25,30)(H,28,29).
What are the key properties of 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid?
1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 398.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 174692298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).