6-fluoro-4-methyl-4aH-quinolin-2-one

C10H8FNO — CID 178186131

IUPAC6-fluoro-4-methyl-4aH-quinolin-2-one
SMILESCC1=CC(=O)N=C2C=CC(F)=CC12
InChIInChI=1S/C10H8FNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5,8H,1H3
InChIKeyQIMHDPVZUKBFTG-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.95
Rot. Bonds

About 6-fluoro-4-methyl-4aH-quinolin-2-one

6-fluoro-4-methyl-4aH-quinolin-2-one (PubChem CID 178186131) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 6-fluoro-4-methyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-methyl-4aH-quinolin-2-one
PubChem CID178186131
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name6-fluoro-4-methyl-4aH-quinolin-2-one
SMILESCC1=CC(=O)N=C2C=CC(F)=CC12
InChIInChI=1S/C10H8FNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5,8H,1H3
InChIKeyQIMHDPVZUKBFTG-UHFFFAOYSA-N
XLogP1.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-4-methyl-4aH-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

Related Compounds

1,8a-Dimethyl-3-isoquinolinone
CID 129707541
6-fluoro-6H-quinolin-2-one
CID 71303965
8-fluoro-4aH-quinolin-2-one
CID 71304098
6-fluoro-4aH-quinolin-2-one
CID 71650447
8-fluoro-8H-quinolin-2-one
CID 71650474
6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73083461
5-fluoro-4aH-quinolin-2-one
CID 73200527
5,8-difluoro-4aH-quinolin-2-one
CID 73415018
7-fluoro-4aH-quinolin-2-one
CID 73516911
3-fluoro-4aH-quinolin-2-one
CID 73986618
6-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635635
7-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635636

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-4aH-quinolin-2-one?
The IUPAC name of 6-fluoro-4-methyl-4aH-quinolin-2-one (CID 178186131) is 6-fluoro-4-methyl-4aH-quinolin-2-one.
What is the SMILES notation for 6-fluoro-4-methyl-4aH-quinolin-2-one?
The canonical SMILES for 6-fluoro-4-methyl-4aH-quinolin-2-one is CC1=CC(=O)N=C2C=CC(F)=CC12.
What is the InChIKey of 6-fluoro-4-methyl-4aH-quinolin-2-one?
The InChIKey is QIMHDPVZUKBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5,8H,1H3.
What are the key properties of 6-fluoro-4-methyl-4aH-quinolin-2-one?
6-fluoro-4-methyl-4aH-quinolin-2-one has a molecular weight of 177.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-4aH-quinolin-2-one is sourced from PubChem (CID 178186131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).