N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide

C16H20N2O2 — CID 109479102

IUPACN-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide
SMILESCCC(CCO)NC(=O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H20N2O2/c1-3-14(8-9-19)18-16(20)13-6-7-15-12(10-13)5-4-11(2)17-15/h4-7,10,14,19H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyGNXCRKMRWVECAB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide

N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide (PubChem CID 109479102) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide
PubChem CID109479102
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide
SMILESCCC(CCO)NC(=O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H20N2O2/c1-3-14(8-9-19)18-16(20)13-6-7-15-12(10-13)5-4-11(2)17-15/h4-7,10,14,19H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyGNXCRKMRWVECAB-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
CID 110000332
N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide
CID 143673029
3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one
CID 103458406
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide
CID 109479295
2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 109478884
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344
4-fluoro-N-(1-hydroxypentan-3-yl)-3-nitrobenzamide
CID 113495684
2-(diethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 81196399
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide (CID 109479102) is N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide is CCC(CCO)NC(=O)c1ccc2nc(C)ccc2c1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide?
The InChIKey is GNXCRKMRWVECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-14(8-9-19)18-16(20)13-6-7-15-12(10-13)5-4-11(2)17-15/h4-7,10,14,19H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide?
N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 109479102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).