3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide

C25H22N2O3 — CID 16745860

IUPAC3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(=O)c(O)c(-c4ccc(C)cc4)[nH]c3c2)cc1
InChIInChI=1S/C25H22N2O3/c1-15-3-7-17(8-4-15)14-26-25(30)19-11-12-20-21(13-19)27-22(24(29)23(20)28)18-9-5-16(2)6-10-18/h3-13,29H,14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeySKXWAJCAKXURHC-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.45
Rot. Bonds4

About 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide

3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide (PubChem CID 16745860) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
PubChem CID16745860
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(=O)c(O)c(-c4ccc(C)cc4)[nH]c3c2)cc1
InChIInChI=1S/C25H22N2O3/c1-15-3-7-17(8-4-15)14-26-25(30)19-11-12-20-21(13-19)27-22(24(29)23(20)28)18-9-5-16(2)6-10-18/h3-13,29H,14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeySKXWAJCAKXURHC-UHFFFAOYSA-N
XLogP4.45
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687792
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687793
3-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27259827
2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
CID 16745861
2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide
CID 52912342
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide
CID 134144670
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
N-[(4-methylphenyl)methyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4603395
N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51114332
[2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate
CID 153379031

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide?
The IUPAC name of 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide (CID 16745860) is 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide.
What is the SMILES notation for 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide?
The canonical SMILES for 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(=O)c(O)c(-c4ccc(C)cc4)[nH]c3c2)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide?
The InChIKey is SKXWAJCAKXURHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-15-3-7-17(8-4-15)14-26-25(30)19-11-12-20-21(13-19)27-22(24(29)23(20)28)18-9-5-16(2)6-10-18/h3-13,29H,14H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide?
3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide is sourced from PubChem (CID 16745860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).