N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide

C16H20N2O3 — CID 61246049

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H20N2O3/c1-10(2)7-11(9-19)18-16(21)13-8-17-14-6-4-3-5-12(14)15(13)20/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOGHBARCFDVKYRI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.66
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 61246049) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID61246049
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H20N2O3/c1-10(2)7-11(9-19)18-16(21)13-8-17-14-6-4-3-5-12(14)15(13)20/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOGHBARCFDVKYRI-UHFFFAOYSA-N
XLogP1.66
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 103802992
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39919365
N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 71884766
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 111485393
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 61246049) is N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide is CC(C)CC(CO)NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is OGHBARCFDVKYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)7-11(9-19)18-16(21)13-8-17-14-6-4-3-5-12(14)15(13)20/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 61246049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).