6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one

C11H12F2N2O2 — CID 104632776

IUPAC6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)C(F)F)ccc2NC1=O
InChIInChI=1S/C11H12F2N2O2/c1-15-5-7-4-6(9(16)10(12)13)2-3-8(7)14-11(15)17/h2-4,9-10,16H,5H2,1H3,(H,14,17)
InChIKeyNBZBOZOYIIFAOX-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.96
Rot. Bonds2

About 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 104632776) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.23 g/mol. Its IUPAC name is 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID104632776
Molecular FormulaC11H12F2N2O2
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)C(F)F)ccc2NC1=O
InChIInChI=1S/C11H12F2N2O2/c1-15-5-7-4-6(9(16)10(12)13)2-3-8(7)14-11(15)17/h2-4,9-10,16H,5H2,1H3,(H,14,17)
InChIKeyNBZBOZOYIIFAOX-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 104632776) is 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(O)C(F)F)ccc2NC1=O.
What is the InChIKey of 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is NBZBOZOYIIFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-15-5-7-4-6(9(16)10(12)13)2-3-8(7)14-11(15)17/h2-4,9-10,16H,5H2,1H3,(H,14,17).
What are the key properties of 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 242.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 104632776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).