N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide

C18H24N2O3 — CID 111485393

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H24N2O3/c1-12(2)8-9-18(3,23)11-20-17(22)14-10-19-15-7-5-4-6-13(15)16(14)21/h4-7,10,12,23H,8-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQWDIVIFITMLAIT-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.45
Rot. Bonds6

About N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide

N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 111485393) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID111485393
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H24N2O3/c1-12(2)8-9-18(3,23)11-20-17(22)14-10-19-15-7-5-4-6-13(15)16(14)21/h4-7,10,12,23H,8-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQWDIVIFITMLAIT-UHFFFAOYSA-N
XLogP2.45
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111825762
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437
N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 71884766
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide
CID 115665104
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide (CID 111485393) is N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide is CC(C)CCC(C)(O)CNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QWDIVIFITMLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)8-9-18(3,23)11-20-17(22)14-10-19-15-7-5-4-6-13(15)16(14)21/h4-7,10,12,23H,8-9,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 111485393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).