N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide

C24H26F2N2O — CID 147176435

IUPACN-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide
SMILESCc1nc2c(F)cccc2cc1NC(=O)C(C)(Cc1cccc(F)c1)CC(C)C
InChIInChI=1S/C24H26F2N2O/c1-15(2)13-24(4,14-17-7-5-9-19(25)11-17)23(29)28-21-12-18-8-6-10-20(26)22(18)27-16(21)3/h5-12,15H,13-14H2,1-4H3,(H,28,29)
InChIKeyBYSUSGVSTITYPW-UHFFFAOYSA-N
MW396.48 g/mol
LogP6.06
Rot. Bonds6

About N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide

N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide (PubChem CID 147176435) has the molecular formula C24H26F2N2O and a molecular weight of 396.48 g/mol. Its IUPAC name is N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide
PubChem CID147176435
Molecular FormulaC24H26F2N2O
Molecular Weight396.48 g/mol
Exact Mass396.20
IUPAC NameN-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide
SMILESCc1nc2c(F)cccc2cc1NC(=O)C(C)(Cc1cccc(F)c1)CC(C)C
InChIInChI=1S/C24H26F2N2O/c1-15(2)13-24(4,14-17-7-5-9-19(25)11-17)23(29)28-21-12-18-8-6-10-20(26)22(18)27-16(21)3/h5-12,15H,13-14H2,1-4H3,(H,28,29)
InChIKeyBYSUSGVSTITYPW-UHFFFAOYSA-N
XLogP6.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide
CID 146818531
(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
2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide
CID 166964989
(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 142432657
1-(8-fluoroquinolin-3-yl)-3-methyl-3-(2-methylpropyl)hex-5-yn-2-one
CID 163552936
8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033
2-benzyl-N-(9-fluoro-2-methyl-2,3-dihydro-1H-1-benzazepin-4-yl)-2,4-dimethylpentanamide
CID 166944696
8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide
CID 156852266
2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
CID 147294248
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
N-(2,4-dimethyl-1-phenylpentan-2-yl)-2,3-difluoroquinoline-8-carboxamide
CID 146249225
2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline
CID 175915159

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide?
The IUPAC name of N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide (CID 147176435) is N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide.
What is the SMILES notation for N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide?
The canonical SMILES for N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide is Cc1nc2c(F)cccc2cc1NC(=O)C(C)(Cc1cccc(F)c1)CC(C)C.
What is the InChIKey of N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide?
The InChIKey is BYSUSGVSTITYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O/c1-15(2)13-24(4,14-17-7-5-9-19(25)11-17)23(29)28-21-12-18-8-6-10-20(26)22(18)27-16(21)3/h5-12,15H,13-14H2,1-4H3,(H,28,29).
What are the key properties of N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide?
N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide has a molecular weight of 396.48 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide is sourced from PubChem (CID 147176435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).