4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide

C20H20N2O3 — CID 54684059

IUPAC4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-3-12-22-16-11-7-5-9-14(16)18(23)17(20(22)25)19(24)21-15-10-6-4-8-13(15)2/h4-11,23H,3,12H2,1-2H3,(H,21,24)
InChIKeyIQXRVKPAGTURSD-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.68
Rot. Bonds4

About 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide

4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 54684059) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID54684059
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-3-12-22-16-11-7-5-9-14(16)18(23)17(20(22)25)19(24)21-15-10-6-4-8-13(15)2/h4-11,23H,3,12H2,1-2H3,(H,21,24)
InChIKeyIQXRVKPAGTURSD-UHFFFAOYSA-N
XLogP3.68
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678204
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54676325
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide (CID 54684059) is 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is IQXRVKPAGTURSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-12-22-16-11-7-5-9-14(16)18(23)17(20(22)25)19(24)21-15-10-6-4-8-13(15)2/h4-11,23H,3,12H2,1-2H3,(H,21,24).
What are the key properties of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide?
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54684059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).