7-fluoro-3-methyl-1H-quinolin-4-one

C10H8FNO — CID 175970983

IUPAC7-fluoro-3-methyl-1H-quinolin-4-one
SMILESCc1c[nH]c2cc(F)ccc2c1=O
InChIInChI=1S/C10H8FNO/c1-6-5-12-9-4-7(11)2-3-8(9)10(6)13/h2-5H,1H3,(H,12,13)
InChIKeyWYBKHTYWKRHIJY-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.98
Rot. Bonds

About 7-fluoro-3-methyl-1H-quinolin-4-one

7-fluoro-3-methyl-1H-quinolin-4-one (PubChem CID 175970983) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-methyl-1H-quinolin-4-one
PubChem CID175970983
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name7-fluoro-3-methyl-1H-quinolin-4-one
SMILESCc1c[nH]c2cc(F)ccc2c1=O
InChIInChI=1S/C10H8FNO/c1-6-5-12-9-4-7(11)2-3-8(9)10(6)13/h2-5H,1H3,(H,12,13)
InChIKeyWYBKHTYWKRHIJY-UHFFFAOYSA-N
XLogP1.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-fluoro-3-methyl-1H-indole
CID 142460316
3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
CID 82504898
3-methyl-7-nitro-1H-quinolin-4-one
CID 10560102
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one
CID 102096954
6-fluoro-1H-indole-3-sulfinic acid
CID 146256182
6-fluoro-1H-indole-3-sulfinate
CID 146256181
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1H-quinolin-4-one?
The IUPAC name of 7-fluoro-3-methyl-1H-quinolin-4-one (CID 175970983) is 7-fluoro-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 7-fluoro-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 7-fluoro-3-methyl-1H-quinolin-4-one is Cc1c[nH]c2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-methyl-1H-quinolin-4-one?
The InChIKey is WYBKHTYWKRHIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-5-12-9-4-7(11)2-3-8(9)10(6)13/h2-5H,1H3,(H,12,13).
What are the key properties of 7-fluoro-3-methyl-1H-quinolin-4-one?
7-fluoro-3-methyl-1H-quinolin-4-one has a molecular weight of 177.18 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 175970983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).