N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide

C23H24F2N2O — CID 130421223

IUPACN-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
SMILESCC(C)C[C@@](C)(Cc1ccccc1)NC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C23H24F2N2O/c1-15(2)12-23(3,13-16-7-5-4-6-8-16)27-22(28)18-11-17-9-10-19(24)20(25)21(17)26-14-18/h4-11,14-15H,12-13H2,1-3H3,(H,27,28)/t23-/m0/s1
InChIKeyGQKJCCBWMYAKOY-QHCPKHFHSA-N
MW382.45 g/mol
LogP5.29
Rot. Bonds6

About N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide

N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide (PubChem CID 130421223) has the molecular formula C23H24F2N2O and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
PubChem CID130421223
Molecular FormulaC23H24F2N2O
Molecular Weight382.45 g/mol
Exact Mass382.19
IUPAC NameN-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
SMILESCC(C)C[C@@](C)(Cc1ccccc1)NC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C23H24F2N2O/c1-15(2)12-23(3,13-16-7-5-4-6-8-16)27-22(28)18-11-17-9-10-19(24)20(25)21(17)26-14-18/h4-11,14-15H,12-13H2,1-3H3,(H,27,28)/t23-/m0/s1
InChIKeyGQKJCCBWMYAKOY-QHCPKHFHSA-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

Analyze N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide with MolForge

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Related Compounds

N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide
CID 130421212
N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide
CID 146249225
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989
7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
CID 110490043
7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490026
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide
CID 138473275
8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033
N-[(2S,3S,5R)-5-(ethylcarbamoyl)-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 57192037
N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
CID 110490033
N-(4,4-difluoro-2-methyl-1-phenylbutan-2-yl)oxy-7,8-difluoroquinolin-3-amine
CID 138474823
7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
CID 110490035

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide?
The IUPAC name of N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide (CID 130421223) is N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide is CC(C)C[C@@](C)(Cc1ccccc1)NC(=O)c1cnc2c(F)c(F)ccc2c1.
What is the InChIKey of N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide?
The InChIKey is GQKJCCBWMYAKOY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24F2N2O/c1-15(2)12-23(3,13-16-7-5-4-6-8-16)27-22(28)18-11-17-9-10-19(24)20(25)21(17)26-14-18/h4-11,14-15H,12-13H2,1-3H3,(H,27,28)/t23-/m0/s1.
What are the key properties of N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide?
N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-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-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide is sourced from PubChem (CID 130421223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).