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

C24H25FN2O2 — CID 46911790

IUPACN-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C24H25FN2O2/c25-19-13-11-17(12-14-19)16-27-22-10-6-5-7-18(22)15-21(24(27)29)23(28)26-20-8-3-1-2-4-9-20/h5-7,10-15,20H,1-4,8-9,16H2,(H,26,28)
InChIKeyFSWLXRJYHBRXTL-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.64
Rot. Bonds4

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

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide (PubChem CID 46911790) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
PubChem CID46911790
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C24H25FN2O2/c25-19-13-11-17(12-14-19)16-27-22-10-6-5-7-18(22)15-21(24(27)29)23(28)26-20-8-3-1-2-4-9-20/h5-7,10-15,20H,1-4,8-9,16H2,(H,26,28)
InChIKeyFSWLXRJYHBRXTL-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide (CID 46911790) is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide is O=C(NC1CCCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is FSWLXRJYHBRXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-19-13-11-17(12-14-19)16-27-22-10-6-5-7-18(22)15-21(24(27)29)23(28)26-20-8-3-1-2-4-9-20/h5-7,10-15,20H,1-4,8-9,16H2,(H,26,28).
What are the key properties of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide?
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 46911790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).