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

C18H15FN2O — CID 2090991

IUPACN-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O/c1-12-16(10-14-4-2-3-5-17(14)21-12)18(22)20-11-13-6-8-15(19)9-7-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyPTOPTRCCEANYML-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.61
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide (PubChem CID 2090991) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
PubChem CID2090991
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O/c1-12-16(10-14-4-2-3-5-17(14)21-12)18(22)20-11-13-6-8-15(19)9-7-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyPTOPTRCCEANYML-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)methyl]-2-methylquinoline-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-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide (CID 2090991) is N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide?
The InChIKey is PTOPTRCCEANYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-12-16(10-14-4-2-3-5-17(14)21-12)18(22)20-11-13-6-8-15(19)9-7-13/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 2090991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).