6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one

C20H23FN2O — CID 11702602

IUPAC6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one
SMILESCNCCCC1Cc2cc(F)ccc2N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C20H23FN2O/c1-14-5-8-18(9-6-14)23-19-10-7-17(21)13-16(19)12-15(20(23)24)4-3-11-22-2/h5-10,13,15,22H,3-4,11-12H2,1-2H3
InChIKeyBEKVIGOVWYQMOT-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.97
Rot. Bonds5

About 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one

6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one (PubChem CID 11702602) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one
PubChem CID11702602
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one
SMILESCNCCCC1Cc2cc(F)ccc2N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C20H23FN2O/c1-14-5-8-18(9-6-14)23-19-10-7-17(21)13-16(19)12-15(20(23)24)4-3-11-22-2/h5-10,13,15,22H,3-4,11-12H2,1-2H3
InChIKeyBEKVIGOVWYQMOT-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-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 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one (CID 11702602) is 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one is CNCCCC1Cc2cc(F)ccc2N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one?
The InChIKey is BEKVIGOVWYQMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-14-5-8-18(9-6-14)23-19-10-7-17(21)13-16(19)12-15(20(23)24)4-3-11-22-2/h5-10,13,15,22H,3-4,11-12H2,1-2H3.
What are the key properties of 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one?
6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one has a molecular weight of 326.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 11702602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).