6-fluoro-7-methyl-4aH-quinolin-4-one

C10H8FNO — CID 71303961

IUPAC6-fluoro-7-methyl-4aH-quinolin-4-one
SMILESCC1=CC2=NC=CC(=O)C2C=C1F
InChIInChI=1S/C10H8FNO/c1-6-4-9-7(5-8(6)11)10(13)2-3-12-9/h2-5,7H,1H3
InChIKeyDVMGNZOHPRDGOB-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.95
Rot. Bonds

About 6-fluoro-7-methyl-4aH-quinolin-4-one

6-fluoro-7-methyl-4aH-quinolin-4-one (PubChem CID 71303961) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 6-fluoro-7-methyl-4aH-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-7-methyl-4aH-quinolin-4-one
PubChem CID71303961
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name6-fluoro-7-methyl-4aH-quinolin-4-one
SMILESCC1=CC2=NC=CC(=O)C2C=C1F
InChIInChI=1S/C10H8FNO/c1-6-4-9-7(5-8(6)11)10(13)2-3-12-9/h2-5,7H,1H3
InChIKeyDVMGNZOHPRDGOB-UHFFFAOYSA-N
XLogP1.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

4aH-quinolin-4-one
CID 45074595
N-methylanthrapyridon-9-imine
CID 129796937
2-methyl-7-(trifluoromethyl)-4aH-quinolin-4-one
CID 45045236
6-chloro-7-fluoro-4aH-quinolin-4-one
CID 71303946
7-Fluoro-8-methylidenequinolin-4-one
CID 71304041
8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304086
8-fluoro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304096
8-fluoro-7-methyl-8H-quinolin-4-one
CID 71304097
6-fluoro-2-methyl-4aH-quinolin-4-one
CID 71650445
7-chloro-6-fluoro-4aH-quinolin-4-one
CID 72740927
7-fluoro-2-propyl-4aH-quinolin-4-one
CID 74662016
2-propyl-7-(trifluoromethyl)-4aH-quinolin-4-one
CID 74662020

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-4aH-quinolin-4-one?
The IUPAC name of 6-fluoro-7-methyl-4aH-quinolin-4-one (CID 71303961) is 6-fluoro-7-methyl-4aH-quinolin-4-one.
What is the SMILES notation for 6-fluoro-7-methyl-4aH-quinolin-4-one?
The canonical SMILES for 6-fluoro-7-methyl-4aH-quinolin-4-one is CC1=CC2=NC=CC(=O)C2C=C1F.
What is the InChIKey of 6-fluoro-7-methyl-4aH-quinolin-4-one?
The InChIKey is DVMGNZOHPRDGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-4-9-7(5-8(6)11)10(13)2-3-12-9/h2-5,7H,1H3.
What are the key properties of 6-fluoro-7-methyl-4aH-quinolin-4-one?
6-fluoro-7-methyl-4aH-quinolin-4-one has a molecular weight of 177.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-4aH-quinolin-4-one is sourced from PubChem (CID 71303961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).