2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one

C21H22ClFN2O — CID 20931329

IUPAC2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCC(C)CN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C21H22ClFN2O/c1-14(2)11-25(12-15-3-5-16(22)6-4-15)13-18-10-21(26)19-9-17(23)7-8-20(19)24-18/h3-10,14H,11-13H2,1-2H3,(H,24,26)
InChIKeyGNQHHIIZDAXSQG-UHFFFAOYSA-N
MW372.87 g/mol
LogP4.98
Rot. Bonds6

About 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one

2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one (PubChem CID 20931329) has the molecular formula C21H22ClFN2O and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one
PubChem CID20931329
Molecular FormulaC21H22ClFN2O
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC Name2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCC(C)CN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C21H22ClFN2O/c1-14(2)11-25(12-15-3-5-16(22)6-4-15)13-18-10-21(26)19-9-17(23)7-8-20(19)24-18/h3-10,14H,11-13H2,1-2H3,(H,24,26)
InChIKeyGNQHHIIZDAXSQG-UHFFFAOYSA-N
XLogP4.98
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one 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 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one (CID 20931329) is 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one is CC(C)CN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one?
The InChIKey is GNQHHIIZDAXSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O/c1-14(2)11-25(12-15-3-5-16(22)6-4-15)13-18-10-21(26)19-9-17(23)7-8-20(19)24-18/h3-10,14H,11-13H2,1-2H3,(H,24,26).
What are the key properties of 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one?
2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one has a molecular weight of 372.87 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 20931329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).