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

C10H8FNO — CID 71650445

IUPAC6-fluoro-2-methyl-4aH-quinolin-4-one
SMILESCC1=CC(=O)C2C=C(F)C=CC2=N1
InChIInChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5,8H,1H3
InChIKeyVYZNUYKIHTYIFJ-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.95
Rot. Bonds

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

6-fluoro-2-methyl-4aH-quinolin-4-one (PubChem CID 71650445) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4aH-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-methyl-4aH-quinolin-4-one
PubChem CID71650445
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name6-fluoro-2-methyl-4aH-quinolin-4-one
SMILESCC1=CC(=O)C2C=C(F)C=CC2=N1
InChIInChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5,8H,1H3
InChIKeyVYZNUYKIHTYIFJ-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

methyl 6-fluoro-4-oxo-4aH-quinoline-2-carboxylate
CID 71650592
2,6,8-trimethyl-4aH-quinolin-4-one
CID 178203272
6-iodo-2-(trifluoromethyl)-4aH-quinolin-4-one
CID 138058869
3-[2-(4-chlorophenyl)ethyl]-6-fluoro-2-sulfanylidene-4aH-quinazolin-4-one
CID 78340370
6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one
CID 141037902
2,4-dimethyl-3aH-indole
CID 139306317
1-(5-fluoro-3aH-indol-3-yl)propan-2-amine
CID 152743128
2,6-dimethyl-3-nitro-3H-pyridin-4-one
CID 78198784
6,8-dichloro-2-methyl-8H-quinolin-4-one
CID 76844816
(3R,3aR)-3,6-dimethyl-3,3a-dihydro-1H-pyrrolo[2,3-b]pyridine-2,4-dione
CID 136670214
6-bromo-2-sulfanylidene-4aH-quinazolin-4-one
CID 138059210
2-(4-bromophenyl)-4aH-quinolin-4-one
CID 74601109

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4aH-quinolin-4-one?
The IUPAC name of 6-fluoro-2-methyl-4aH-quinolin-4-one (CID 71650445) is 6-fluoro-2-methyl-4aH-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-methyl-4aH-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-methyl-4aH-quinolin-4-one is CC1=CC(=O)C2C=C(F)C=CC2=N1.
What is the InChIKey of 6-fluoro-2-methyl-4aH-quinolin-4-one?
The InChIKey is VYZNUYKIHTYIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5,8H,1H3.
What are the key properties of 6-fluoro-2-methyl-4aH-quinolin-4-one?
6-fluoro-2-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-2-methyl-4aH-quinolin-4-one is sourced from PubChem (CID 71650445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).