4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C17H15F2NO3 — CID 6462277

IUPAC4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cc(F)ccc1F)CC(=O)N2
InChIInChI=1S/C17H15F2NO3/c1-22-15-6-12-10(11-5-9(18)3-4-13(11)19)7-17(21)20-14(12)8-16(15)23-2/h3-6,8,10H,7H2,1-2H3,(H,20,21)
InChIKeyIVKHBVFZKZSOPN-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.46
Rot. Bonds3

About 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 6462277) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID6462277
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cc(F)ccc1F)CC(=O)N2
InChIInChI=1S/C17H15F2NO3/c1-22-15-6-12-10(11-5-9(18)3-4-13(11)19)7-17(21)20-14(12)8-16(15)23-2/h3-6,8,10H,7H2,1-2H3,(H,20,21)
InChIKeyIVKHBVFZKZSOPN-UHFFFAOYSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-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 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 6462277) is 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1cc(F)ccc1F)CC(=O)N2.
What is the InChIKey of 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IVKHBVFZKZSOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-22-15-6-12-10(11-5-9(18)3-4-13(11)19)7-17(21)20-14(12)8-16(15)23-2/h3-6,8,10H,7H2,1-2H3,(H,20,21).
What are the key properties of 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 319.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 6462277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).