1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide

C24H25FN2O2 — CID 118735884

IUPAC1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3n(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C24H25FN2O2/c1-16-6-12-20(13-7-16)26-23(28)21-14-18-4-2-3-5-22(18)27(24(21)29)15-17-8-10-19(25)11-9-17/h2-5,8-11,14,16,20H,6-7,12-13,15H2,1H3,(H,26,28)
InChIKeyNWYGVNMVIYNQSO-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.50
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide (PubChem CID 118735884) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
PubChem CID118735884
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3n(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C24H25FN2O2/c1-16-6-12-20(13-7-16)26-23(28)21-14-18-4-2-3-5-22(18)27(24(21)29)15-17-8-10-19(25)11-9-17/h2-5,8-11,14,16,20H,6-7,12-13,15H2,1H3,(H,26,28)
InChIKeyNWYGVNMVIYNQSO-UHFFFAOYSA-N
XLogP4.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide (CID 118735884) is 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide is CC1CCC(NC(=O)c2cc3ccccc3n(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is NWYGVNMVIYNQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-16-6-12-20(13-7-16)26-23(28)21-14-18-4-2-3-5-22(18)27(24(21)29)15-17-8-10-19(25)11-9-17/h2-5,8-11,14,16,20H,6-7,12-13,15H2,1H3,(H,26,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 118735884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).