6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one

C13H13F2NO — CID 62913301

IUPAC6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
SMILESCc1[nH]c2c(F)cc(F)cc2c(=O)c1C(C)C
InChIInChI=1S/C13H13F2NO/c1-6(2)11-7(3)16-12-9(13(11)17)4-8(14)5-10(12)15/h4-6H,1-3H3,(H,16,17)
InChIKeyNLHDCMOONHEROG-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.24
Rot. Bonds1

About 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one

6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one (PubChem CID 62913301) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
PubChem CID62913301
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
SMILESCc1[nH]c2c(F)cc(F)cc2c(=O)c1C(C)C
InChIInChI=1S/C13H13F2NO/c1-6(2)11-7(3)16-12-9(13(11)17)4-8(14)5-10(12)15/h4-6H,1-3H3,(H,16,17)
InChIKeyNLHDCMOONHEROG-UHFFFAOYSA-N
XLogP3.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,8-difluoro-2-methyl-3-propan-2-yl-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 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one (CID 62913301) is 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one is Cc1[nH]c2c(F)cc(F)cc2c(=O)c1C(C)C.
What is the InChIKey of 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one?
The InChIKey is NLHDCMOONHEROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-6(2)11-7(3)16-12-9(13(11)17)4-8(14)5-10(12)15/h4-6H,1-3H3,(H,16,17).
What are the key properties of 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one?
6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one has a molecular weight of 237.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 62913301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).