N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide

C15H18N2O3 — CID 79252594

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-9(2)13(8-18)17-15(20)11-7-16-12-6-4-3-5-10(12)14(11)19/h3-7,9,13,18H,8H2,1-2H3,(H,16,19)(H,17,20)/t13-/m1/s1
InChIKeyLXEDEYAJHDVUSS-CYBMUJFWSA-N
MW274.32 g/mol
LogP1.27
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 79252594) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID79252594
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-9(2)13(8-18)17-15(20)11-7-16-12-6-4-3-5-10(12)14(11)19/h3-7,9,13,18H,8H2,1-2H3,(H,16,19)(H,17,20)/t13-/m1/s1
InChIKeyLXEDEYAJHDVUSS-CYBMUJFWSA-N
XLogP1.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
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-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 103802992
5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide
CID 79252342
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 79252594) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide is CC(C)[C@@H](CO)NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LXEDEYAJHDVUSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)13(8-18)17-15(20)11-7-16-12-6-4-3-5-10(12)14(11)19/h3-7,9,13,18H,8H2,1-2H3,(H,16,19)(H,17,20)/t13-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 79252594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).