N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide

C23H23FN2O — CID 130405989

IUPACN-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
SMILESC=C(C)CC(C)(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C23H23FN2O/c1-16(2)13-23(3,14-17-8-5-4-6-9-17)26-22(27)19-12-18-10-7-11-20(24)21(18)25-15-19/h4-12,15H,1,13-14H2,2-3H3,(H,26,27)
InChIKeySGSTZURMXPJQSD-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.07
Rot. Bonds6

About N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide

N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide (PubChem CID 130405989) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
PubChem CID130405989
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
SMILESC=C(C)CC(C)(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C23H23FN2O/c1-16(2)13-23(3,14-17-8-5-4-6-9-17)26-22(27)19-12-18-10-7-11-20(24)21(18)25-15-19/h4-12,15H,1,13-14H2,2-3H3,(H,26,27)
InChIKeySGSTZURMXPJQSD-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.07
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

8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
N-(4-ethyl-2,6-dimethylhepta-1,6-dien-4-yl)-8-fluoroquinoline-3-carboxamide
CID 162488168
8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033
8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide
CID 175504641
N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 130421223
8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
CID 175312240
N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide
CID 130421212
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide
CID 138473275
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
CID 146469708
N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide
CID 166883410

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide?
The IUPAC name of N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide (CID 130405989) is N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide is C=C(C)CC(C)(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1.
What is the InChIKey of N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide?
The InChIKey is SGSTZURMXPJQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-16(2)13-23(3,14-17-8-5-4-6-9-17)26-22(27)19-12-18-10-7-11-20(24)21(18)25-15-19/h4-12,15H,1,13-14H2,2-3H3,(H,26,27).
What are the key properties of N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide?
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.07, 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-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 130405989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).