2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline

C15H10ClF3N2 — CID 67041974

IUPAC2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline
SMILESFC(F)(F)c1ccc2c(c1)NC(c1ccc(Cl)cc1)N=C2
InChIInChI=1S/C15H10ClF3N2/c16-12-5-2-9(3-6-12)14-20-8-10-1-4-11(15(17,18)19)7-13(10)21-14/h1-8,14,21H
InChIKeyYZCWPGUAZSLIKQ-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.90
Rot. Bonds1

About 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline

2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline (PubChem CID 67041974) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline
PubChem CID67041974
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline
SMILESFC(F)(F)c1ccc2c(c1)NC(c1ccc(Cl)cc1)N=C2
InChIInChI=1S/C15H10ClF3N2/c16-12-5-2-9(3-6-12)14-20-8-10-1-4-11(15(17,18)19)7-13(10)21-14/h1-8,14,21H
InChIKeyYZCWPGUAZSLIKQ-UHFFFAOYSA-N
XLogP4.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline 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 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline?
The IUPAC name of 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline (CID 67041974) is 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline is FC(F)(F)c1ccc2c(c1)NC(c1ccc(Cl)cc1)N=C2.
What is the InChIKey of 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline?
The InChIKey is YZCWPGUAZSLIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c16-12-5-2-9(3-6-12)14-20-8-10-1-4-11(15(17,18)19)7-13(10)21-14/h1-8,14,21H.
What are the key properties of 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline?
2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline has a molecular weight of 310.71 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydroquinazoline is sourced from PubChem (CID 67041974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).