N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide

C22H24N2O2 — CID 71884766

IUPACN-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H24N2O2/c1-15(13-22(2,3)16-9-5-4-6-10-16)24-21(26)18-14-23-19-12-8-7-11-17(19)20(18)25/h4-12,14-15H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJWJSLKXPQPFMPC-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.01
Rot. Bonds5

About N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 71884766) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID71884766
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H24N2O2/c1-15(13-22(2,3)16-9-5-4-6-10-16)24-21(26)18-14-23-19-12-8-7-11-17(19)20(18)25/h4-12,14-15H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJWJSLKXPQPFMPC-UHFFFAOYSA-N
XLogP4.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39919365
N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 111485393
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 103802992

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 71884766) is N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide is CC(CC(C)(C)c1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JWJSLKXPQPFMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15(13-22(2,3)16-9-5-4-6-10-16)24-21(26)18-14-23-19-12-8-7-11-17(19)20(18)25/h4-12,14-15H,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 71884766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).