N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide

C23H26N2O2 — CID 55765922

IUPACN-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NC(CC(C)(C)C)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-23(2,3)15-19(16-10-6-5-7-11-16)24-22(27)18-14-21(26)25(4)20-13-9-8-12-17(18)20/h5-14,19H,15H2,1-4H3,(H,24,27)
InChIKeyMRKQGQHSXBMTAC-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.45
Rot. Bonds4

About N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide

N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55765922) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55765922
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NC(CC(C)(C)C)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-23(2,3)15-19(16-10-6-5-7-11-16)24-22(27)18-14-21(26)25(4)20-13-9-8-12-17(18)20/h5-14,19H,15H2,1-4H3,(H,24,27)
InChIKeyMRKQGQHSXBMTAC-UHFFFAOYSA-N
XLogP4.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-phenyl-N-(1-phenylpropyl)indole-3-carboxamide
CID 10808048
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 92614727
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55753020
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695225
N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998024
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55787862
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55901687

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide (CID 55765922) is N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)NC(CC(C)(C)C)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is MRKQGQHSXBMTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-23(2,3)15-19(16-10-6-5-7-11-16)24-22(27)18-14-21(26)25(4)20-13-9-8-12-17(18)20/h5-14,19H,15H2,1-4H3,(H,24,27).
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide?
N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55765922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).