N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide

C25H22N2O3 — CID 166804668

IUPACN-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide
SMILESCc1c(O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C25H22N2O3/c1-16-23(28)20-15-19(13-14-21(20)27(2)25(16)30)24(29)26-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22,28H,1-2H3,(H,26,29)
InChIKeyPXKPEUIQQOGQMF-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.07
Rot. Bonds4

About N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide

N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide (PubChem CID 166804668) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide
PubChem CID166804668
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide
SMILESCc1c(O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C25H22N2O3/c1-16-23(28)20-15-19(13-14-21(20)27(2)25(16)30)24(29)26-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22,28H,1-2H3,(H,26,29)
InChIKeyPXKPEUIQQOGQMF-UHFFFAOYSA-N
XLogP4.07
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934623
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-benzhydryl-1-methylbenzimidazole-5-carboxamide
CID 100775960
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
4-methoxy-3-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100771245
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
CID 8798028

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide?
The IUPAC name of N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide (CID 166804668) is N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide.
What is the SMILES notation for N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide?
The canonical SMILES for N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide is Cc1c(O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2n(C)c1=O.
What is the InChIKey of N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide?
The InChIKey is PXKPEUIQQOGQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-16-23(28)20-15-19(13-14-21(20)27(2)25(16)30)24(29)26-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22,28H,1-2H3,(H,26,29).
What are the key properties of N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide?
N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-hydroxy-1,3-dimethyl-2-oxoquinoline-6-carboxamide is sourced from PubChem (CID 166804668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).