1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one

C13H12FNO2 — CID 91606345

IUPAC1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
SMILESCOc1c(F)ccc2c(=O)ccn(C3CC3)c12
InChIInChI=1S/C13H12FNO2/c1-17-13-10(14)5-4-9-11(16)6-7-15(12(9)13)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyZZWQAKXUPODSJQ-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.48
Rot. Bonds2

About 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one

1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one (PubChem CID 91606345) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
PubChem CID91606345
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
SMILESCOc1c(F)ccc2c(=O)ccn(C3CC3)c12
InChIInChI=1S/C13H12FNO2/c1-17-13-10(14)5-4-9-11(16)6-7-15(12(9)13)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyZZWQAKXUPODSJQ-UHFFFAOYSA-N
XLogP2.48
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one?
The IUPAC name of 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one (CID 91606345) is 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one?
The canonical SMILES for 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one is COc1c(F)ccc2c(=O)ccn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one?
The InChIKey is ZZWQAKXUPODSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-17-13-10(14)5-4-9-11(16)6-7-15(12(9)13)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one?
1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one has a molecular weight of 233.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one is sourced from PubChem (CID 91606345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).