6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one

C13H15F3N2O3 — CID 103210428

IUPAC6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)COCC(F)(F)F)ccc2NC1=O
InChIInChI=1S/C13H15F3N2O3/c1-18-5-9-4-8(2-3-10(9)17-12(18)20)11(19)6-21-7-13(14,15)16/h2-4,11,19H,5-7H2,1H3,(H,17,20)
InChIKeyPMBJWUKYLQSJBI-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.28
Rot. Bonds4

About 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 103210428) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID103210428
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)COCC(F)(F)F)ccc2NC1=O
InChIInChI=1S/C13H15F3N2O3/c1-18-5-9-4-8(2-3-10(9)17-12(18)20)11(19)6-21-7-13(14,15)16/h2-4,11,19H,5-7H2,1H3,(H,17,20)
InChIKeyPMBJWUKYLQSJBI-UHFFFAOYSA-N
XLogP2.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-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-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 103210428) is 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(O)COCC(F)(F)F)ccc2NC1=O.
What is the InChIKey of 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is PMBJWUKYLQSJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-18-5-9-4-8(2-3-10(9)17-12(18)20)11(19)6-21-7-13(14,15)16/h2-4,11,19H,5-7H2,1H3,(H,17,20).
What are the key properties of 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 304.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 103210428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).