N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide

C15H18N2O3 — CID 115767429

IUPACN-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCC(CCO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-2-10(7-8-18)17-15(20)12-9-16-13-6-4-3-5-11(13)14(12)19/h3-6,9-10,18H,2,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyCPHXVJWWGFQLGF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.42
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 115767429) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID115767429
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCC(CCO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-2-10(7-8-18)17-15(20)12-9-16-13-6-4-3-5-11(13)14(12)19/h3-6,9-10,18H,2,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyCPHXVJWWGFQLGF-UHFFFAOYSA-N
XLogP1.42
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 103802992
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39919365
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455371
N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 97259003
N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 71884766
N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide
CID 109479279

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 115767429) is N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide is CCC(CCO)NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CPHXVJWWGFQLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-10(7-8-18)17-15(20)12-9-16-13-6-4-3-5-11(13)14(12)19/h3-6,9-10,18H,2,7-8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 115767429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).