8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide

C19H16F2N2O — CID 156852266

IUPAC8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide
SMILESCC(Cc1cccc(F)c1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C19H16F2N2O/c1-12(8-13-4-2-6-16(20)9-13)23-19(24)15-10-14-5-3-7-17(21)18(14)22-11-15/h2-7,9-12H,8H2,1H3,(H,23,24)
InChIKeyQBCUECOVGILFPO-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.87
Rot. Bonds4

About 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide

8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide (PubChem CID 156852266) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide
PubChem CID156852266
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide
SMILESCC(Cc1cccc(F)c1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C19H16F2N2O/c1-12(8-13-4-2-6-16(20)9-13)23-19(24)15-10-14-5-3-7-17(21)18(14)22-11-15/h2-7,9-12H,8H2,1H3,(H,23,24)
InChIKeyQBCUECOVGILFPO-UHFFFAOYSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 142308444
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629
8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide
CID 175504641
8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
8-fluoro-N-pyridin-4-ylquinoline-3-carboxamide
CID 110489666
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide (CID 156852266) is 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide is CC(Cc1cccc(F)c1)NC(=O)c1cnc2c(F)cccc2c1.
What is the InChIKey of 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide?
The InChIKey is QBCUECOVGILFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/c1-12(8-13-4-2-6-16(20)9-13)23-19(24)15-10-14-5-3-7-17(21)18(14)22-11-15/h2-7,9-12H,8H2,1H3,(H,23,24).
What are the key properties of 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide?
8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 156852266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).