3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one

C10H7ClFNO2 — CID 114759440

IUPAC3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one
SMILESCOc1cc(F)cc2c(=O)c(Cl)c[nH]c12
InChIInChI=1S/C10H7ClFNO2/c1-15-8-3-5(12)2-6-9(8)13-4-7(11)10(6)14/h2-4H,1H3,(H,13,14)
InChIKeyVOYDZGFZWMKCHJ-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.33
Rot. Bonds1

About 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one

3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one (PubChem CID 114759440) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one
PubChem CID114759440
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one
SMILESCOc1cc(F)cc2c(=O)c(Cl)c[nH]c12
InChIInChI=1S/C10H7ClFNO2/c1-15-8-3-5(12)2-6-9(8)13-4-7(11)10(6)14/h2-4H,1H3,(H,13,14)
InChIKeyVOYDZGFZWMKCHJ-UHFFFAOYSA-N
XLogP2.33
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759442
3-bromo-5-fluoro-7-methoxy-1H-indole
CID 130052168
3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one
CID 118414190
2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
CID 18702266
7-fluoro-5-methoxy-2H-isoquinolin-1-one
CID 71742702
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine
CID 54011465
6-fluoro-8-methoxy-3H-quinazolin-4-one
CID 136677465
3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione
CID 114589090
6-fluoro-4-methoxy-2H-isoquinolin-1-one
CID 86683190
7-chloro-5-fluoro-3-methyl-1H-indole;ethane
CID 143713524
6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
CID 135333306

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one (CID 114759440) is 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one is COc1cc(F)cc2c(=O)c(Cl)c[nH]c12.
What is the InChIKey of 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one?
The InChIKey is VOYDZGFZWMKCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c1-15-8-3-5(12)2-6-9(8)13-4-7(11)10(6)14/h2-4H,1H3,(H,13,14).
What are the key properties of 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one?
3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one has a molecular weight of 227.62 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 114759440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).