6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one

C11H10F2N2O2 — CID 143751543

IUPAC6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
SMILESCCc1nc2ccc(OC(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C11H10F2N2O2/c1-2-9-14-8-4-3-6(17-11(12)13)5-7(8)10(16)15-9/h3-5,11H,2H2,1H3,(H,14,15,16)
InChIKeyKGGQZCCYABGMRP-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.09
Rot. Bonds3

About 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one

6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one (PubChem CID 143751543) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
PubChem CID143751543
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
SMILESCCc1nc2ccc(OC(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C11H10F2N2O2/c1-2-9-14-8-4-3-6(17-11(12)13)5-7(8)10(16)15-9/h3-5,11H,2H2,1H3,(H,14,15,16)
InChIKeyKGGQZCCYABGMRP-UHFFFAOYSA-N
XLogP2.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one?
The IUPAC name of 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one (CID 143751543) is 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one?
The canonical SMILES for 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one is CCc1nc2ccc(OC(F)F)cc2c(=O)[nH]1.
What is the InChIKey of 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one?
The InChIKey is KGGQZCCYABGMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-2-9-14-8-4-3-6(17-11(12)13)5-7(8)10(16)15-9/h3-5,11H,2H2,1H3,(H,14,15,16).
What are the key properties of 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one?
6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one has a molecular weight of 240.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one is sourced from PubChem (CID 143751543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).