2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one

C13H11F2NO2 — CID 63358135

IUPAC2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2ccc(OC(F)F)cc12
InChIInChI=1S/C13H11F2NO2/c14-13(15)18-8-3-4-10-9(5-8)12(17)6-11(16-10)7-1-2-7/h3-7,13H,1-2H2,(H,16,17)
InChIKeySMOYHKHMWIPPRT-UHFFFAOYSA-N
MW251.23 g/mol
LogP3.01
Rot. Bonds3

About 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one

2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one (PubChem CID 63358135) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one
PubChem CID63358135
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2ccc(OC(F)F)cc12
InChIInChI=1S/C13H11F2NO2/c14-13(15)18-8-3-4-10-9(5-8)12(17)6-11(16-10)7-1-2-7/h3-7,13H,1-2H2,(H,16,17)
InChIKeySMOYHKHMWIPPRT-UHFFFAOYSA-N
XLogP3.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one?
The IUPAC name of 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one (CID 63358135) is 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one?
The canonical SMILES for 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one is O=c1cc(C2CC2)[nH]c2ccc(OC(F)F)cc12.
What is the InChIKey of 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one?
The InChIKey is SMOYHKHMWIPPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-13(15)18-8-3-4-10-9(5-8)12(17)6-11(16-10)7-1-2-7/h3-7,13H,1-2H2,(H,16,17).
What are the key properties of 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one?
2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one has a molecular weight of 251.23 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 63358135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).