N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide

C23H24F2N2O — CID 146249225

IUPACN-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide
SMILESCC(C)CC(C)(Cc1ccccc1)NC(=O)c1cccc2cc(F)c(F)nc12
InChIInChI=1S/C23H24F2N2O/c1-15(2)13-23(3,14-16-8-5-4-6-9-16)27-22(28)18-11-7-10-17-12-19(24)21(25)26-20(17)18/h4-12,15H,13-14H2,1-3H3,(H,27,28)
InChIKeyUDNYBIPGOCAHMP-UHFFFAOYSA-N
MW382.45 g/mol
LogP5.29
Rot. Bonds6

About N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide

N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide (PubChem CID 146249225) has the molecular formula C23H24F2N2O and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide
PubChem CID146249225
Molecular FormulaC23H24F2N2O
Molecular Weight382.45 g/mol
Exact Mass382.19
IUPAC NameN-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide
SMILESCC(C)CC(C)(Cc1ccccc1)NC(=O)c1cccc2cc(F)c(F)nc12
InChIInChI=1S/C23H24F2N2O/c1-15(2)13-23(3,14-16-8-5-4-6-9-16)27-22(28)18-11-7-10-17-12-19(24)21(25)26-20(17)18/h4-12,15H,13-14H2,1-3H3,(H,27,28)
InChIKeyUDNYBIPGOCAHMP-UHFFFAOYSA-N
XLogP5.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 130421223
N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide
CID 130421212
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline
CID 175915159
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 119599272
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
(2R)-2-benzyl-2,4-dimethylpentanoic acid;(2R)-2-benzyl-2,4-dimethylpentanoyl chloride;(3R)-3-benzyl-1-(8-fluoro-2-methylquinolin-3-yl)-3,5-dimethylhexan-2-one;8-fluoro-2-methylquinolin-3-amine
CID 163875128
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
CID 115309796
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120518528
8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide?
The IUPAC name of N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide (CID 146249225) is N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide is CC(C)CC(C)(Cc1ccccc1)NC(=O)c1cccc2cc(F)c(F)nc12.
What is the InChIKey of N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide?
The InChIKey is UDNYBIPGOCAHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O/c1-15(2)13-23(3,14-16-8-5-4-6-9-16)27-22(28)18-11-7-10-17-12-19(24)21(25)26-20(17)18/h4-12,15H,13-14H2,1-3H3,(H,27,28).
What are the key properties of N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide?
N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide is sourced from PubChem (CID 146249225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).