N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide

C18H24N2O3S — CID 91636835

IUPACN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)c1c[nH]c2c(C(C)C)cccc2c1=O
InChIInChI=1S/C18H24N2O3S/c1-11(2)13-5-4-6-14-16(13)19-9-15(17(14)22)18(23)20-12(10-21)7-8-24-3/h4-6,9,11-12,21H,7-8,10H2,1-3H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyWWEVQTOVFGIPEX-LBPRGKRZSA-N
MW348.47 g/mol
LogP2.50
Rot. Bonds7

About N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide (PubChem CID 91636835) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide
PubChem CID91636835
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)c1c[nH]c2c(C(C)C)cccc2c1=O
InChIInChI=1S/C18H24N2O3S/c1-11(2)13-5-4-6-14-16(13)19-9-15(17(14)22)18(23)20-12(10-21)7-8-24-3/h4-6,9,11-12,21H,7-8,10H2,1-3H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyWWEVQTOVFGIPEX-LBPRGKRZSA-N
XLogP2.50
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6,8-difluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639912
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355
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
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 163088809
1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91640816
8-methoxy-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639942
N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 103802992
(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid
CID 76846716

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide (CID 91636835) is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide is CSCC[C@@H](CO)NC(=O)c1c[nH]c2c(C(C)C)cccc2c1=O.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide?
The InChIKey is WWEVQTOVFGIPEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-11(2)13-5-4-6-14-16(13)19-9-15(17(14)22)18(23)20-12(10-21)7-8-24-3/h4-6,9,11-12,21H,7-8,10H2,1-3H3,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide?
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91636835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).