(2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide

C24H25FN2O — CID 148598876

IUPAC(2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@](C)(Cc1ccccc1)C(=O)Nc1cnc2c(F)cccc2c1C
InChIInChI=1S/C24H25FN2O/c1-16(2)13-24(4,14-18-9-6-5-7-10-18)23(28)27-21-15-26-22-19(17(21)3)11-8-12-20(22)25/h5-12,15H,1,13-14H2,2-4H3,(H,27,28)/t24-/m1/s1
InChIKeyNCCSTVLUUXTUJR-XMMPIXPASA-N
MW376.48 g/mol
LogP5.84
Rot. Bonds6

About (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide

(2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide (PubChem CID 148598876) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
PubChem CID148598876
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name(2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@](C)(Cc1ccccc1)C(=O)Nc1cnc2c(F)cccc2c1C
InChIInChI=1S/C24H25FN2O/c1-16(2)13-24(4,14-18-9-6-5-7-10-18)23(28)27-21-15-26-22-19(17(21)3)11-8-12-20(22)25/h5-12,15H,1,13-14H2,2-4H3,(H,27,28)/t24-/m1/s1
InChIKeyNCCSTVLUUXTUJR-XMMPIXPASA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
CID 146469708
3-benzyl-5-chloro-1-(8-fluoro-4-methylquinolin-3-yl)-3-methylhex-5-en-2-one
CID 160947935
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989
2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide
CID 166964989
2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide
CID 146818531
(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 142432657
2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
CID 147294248
4,4,4-trifluoro-N-[(E)-1-(8-fluoro-4-methylquinolin-3-yl)prop-1-enyl]-2-methyl-1-phenylbutan-2-amine
CID 155030677
2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-N-(methoxymethyl)-2-methylbutanamide
CID 149444066
4-acetamido-8-fluoroquinoline-3-carboxylic acid
CID 102543427
N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide
CID 147176435
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide?
The IUPAC name of (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide (CID 148598876) is (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide.
What is the SMILES notation for (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide?
The canonical SMILES for (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide is C=C(C)C[C@](C)(Cc1ccccc1)C(=O)Nc1cnc2c(F)cccc2c1C.
What is the InChIKey of (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide?
The InChIKey is NCCSTVLUUXTUJR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25FN2O/c1-16(2)13-24(4,14-18-9-6-5-7-10-18)23(28)27-21-15-26-22-19(17(21)3)11-8-12-20(22)25/h5-12,15H,1,13-14H2,2-4H3,(H,27,28)/t24-/m1/s1.
What are the key properties of (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide?
(2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide has a molecular weight of 376.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide is sourced from PubChem (CID 148598876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).