2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one

C16H13F2NO2 — CID 176842658

IUPAC2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one
SMILESCc1c(-c2ccc3c(n2)CCCC3=O)cc(F)c(O)c1F
InChIInChI=1S/C16H13F2NO2/c1-8-10(7-11(17)16(21)15(8)18)13-6-5-9-12(19-13)3-2-4-14(9)20/h5-7,21H,2-4H2,1H3
InChIKeyNZZVWGNVATYBTG-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.56
Rot. Bonds1

About 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one

2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 176842658) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID176842658
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one
SMILESCc1c(-c2ccc3c(n2)CCCC3=O)cc(F)c(O)c1F
InChIInChI=1S/C16H13F2NO2/c1-8-10(7-11(17)16(21)15(8)18)13-6-5-9-12(19-13)3-2-4-14(9)20/h5-7,21H,2-4H2,1H3
InChIKeyNZZVWGNVATYBTG-UHFFFAOYSA-N
XLogP3.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-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-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one (CID 176842658) is 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one is Cc1c(-c2ccc3c(n2)CCCC3=O)cc(F)c(O)c1F.
What is the InChIKey of 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is NZZVWGNVATYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-8-10(7-11(17)16(21)15(8)18)13-6-5-9-12(19-13)3-2-4-14(9)20/h5-7,21H,2-4H2,1H3.
What are the key properties of 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one?
2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 289.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-hydroxy-2-methylphenyl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 176842658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).