1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide

C21H22N2O3 — CID 54683118

IUPAC1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-3-4-12-23-17-11-6-5-10-16(17)19(24)18(21(23)26)20(25)22-15-9-7-8-14(2)13-15/h5-11,13,24H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyGFAJSMNNGWQOAA-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.07
Rot. Bonds5

About 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide

1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54683118) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
PubChem CID54683118
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-3-4-12-23-17-11-6-5-10-16(17)19(24)18(21(23)26)20(25)22-15-9-7-8-14(2)13-15/h5-11,13,24H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyGFAJSMNNGWQOAA-UHFFFAOYSA-N
XLogP4.07
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Laquinimod
CID 54677946
Roquinimex
CID 54676478
2,4-Dihydroxyquinoline
CID 54680871
Paquinimod
CID 54684617
4-Hydroxy-N-methylcarbostyril
CID 54686436
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
Zanthobisquinolone
CID 54688597
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide (CID 54683118) is 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is GFAJSMNNGWQOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-4-12-23-17-11-6-5-10-16(17)19(24)18(21(23)26)20(25)22-15-9-7-8-14(2)13-15/h5-11,13,24H,3-4,12H2,1-2H3,(H,22,25).
What are the key properties of 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54683118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).