2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide

C20H19FN2O — CID 42749910

IUPAC2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3F)cc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C20H19FN2O/c1-12(2)22-20(24)16-11-19(14-6-4-5-7-17(14)21)23-18-9-8-13(3)10-15(16)18/h4-12H,1-3H3,(H,22,24)
InChIKeyQUFLSYDBGQHVKA-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.49
Rot. Bonds3

About 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide

2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 42749910) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
PubChem CID42749910
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3F)cc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C20H19FN2O/c1-12(2)22-20(24)16-11-19(14-6-4-5-7-17(14)21)23-18-9-8-13(3)10-15(16)18/h4-12H,1-3H3,(H,22,24)
InChIKeyQUFLSYDBGQHVKA-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 42749913
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate
CID 42749933
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 899137
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 2147629
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869410
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323602

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide (CID 42749910) is 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3F)cc(C(=O)NC(C)C)c2c1.
What is the InChIKey of 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is QUFLSYDBGQHVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-12(2)22-20(24)16-11-19(14-6-4-5-7-17(14)21)23-18-9-8-13(3)10-15(16)18/h4-12H,1-3H3,(H,22,24).
What are the key properties of 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide?
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 42749910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).