8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide

C22H21FN2O — CID 175504641

IUPAC8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide
SMILESC=C(C)CC(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C22H21FN2O/c1-15(2)11-19(12-16-7-4-3-5-8-16)25-22(26)18-13-17-9-6-10-20(23)21(17)24-14-18/h3-10,13-14,19H,1,11-12H2,2H3,(H,25,26)
InChIKeyIMHKUSDCXSMSHS-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.68
Rot. Bonds6

About 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide

8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide (PubChem CID 175504641) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide
PubChem CID175504641
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide
SMILESC=C(C)CC(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C22H21FN2O/c1-15(2)11-19(12-16-7-4-3-5-8-16)25-22(26)18-13-17-9-6-10-20(23)21(17)24-14-18/h3-10,13-14,19H,1,11-12H2,2H3,(H,25,26)
InChIKeyIMHKUSDCXSMSHS-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989
8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide
CID 156852266
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
N-(4-ethyl-2,6-dimethylhepta-1,6-dien-4-yl)-8-fluoroquinoline-3-carboxamide
CID 162488168
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
CID 175312240
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
CID 46884011
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide (CID 175504641) is 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide is C=C(C)CC(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1.
What is the InChIKey of 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide?
The InChIKey is IMHKUSDCXSMSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-15(2)11-19(12-16-7-4-3-5-8-16)25-22(26)18-13-17-9-6-10-20(23)21(17)24-14-18/h3-10,13-14,19H,1,11-12H2,2H3,(H,25,26).
What are the key properties of 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide?
8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 175504641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).