2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide

C20H19FN2O — CID 9192896

IUPAC2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)NCc1ccccc1F
InChIInChI=1S/C20H19FN2O/c1-3-17-19(13(2)15-9-5-7-11-18(15)23-17)20(24)22-12-14-8-4-6-10-16(14)21/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyVYPOSDVZENDWTC-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.17
Rot. Bonds4

About 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide

2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide (PubChem CID 9192896) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
PubChem CID9192896
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)NCc1ccccc1F
InChIInChI=1S/C20H19FN2O/c1-3-17-19(13(2)15-9-5-7-11-18(15)23-17)20(24)22-12-14-8-4-6-10-16(14)21/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyVYPOSDVZENDWTC-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668121
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191575
ethyl 2-[[2-(2-fluorophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8661348
4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020396
7-cyano-2-ethyl-N-[(3-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
CID 56848129
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 9192352
4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020420
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502181
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide (CID 9192896) is 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide is CCc1nc2ccccc2c(C)c1C(=O)NCc1ccccc1F.
What is the InChIKey of 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide?
The InChIKey is VYPOSDVZENDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-3-17-19(13(2)15-9-5-7-11-18(15)23-17)20(24)22-12-14-8-4-6-10-16(14)21/h4-11H,3,12H2,1-2H3,(H,22,24).
What are the key properties of 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide?
2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide is sourced from PubChem (CID 9192896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).