4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline

C16H10ClF3N2O — CID 174590674

IUPAC4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline
SMILESCOc1cc(Cl)ccc1-c1ncnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C16H10ClF3N2O/c1-23-13-7-9(17)5-6-10(13)14-11-3-2-4-12(16(18,19)20)15(11)22-8-21-14/h2-8H,1H3
InChIKeyPWHLKQBIOTYBKB-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.98
Rot. Bonds2

About 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline

4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline (PubChem CID 174590674) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline
PubChem CID174590674
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline
SMILESCOc1cc(Cl)ccc1-c1ncnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C16H10ClF3N2O/c1-23-13-7-9(17)5-6-10(13)14-11-3-2-4-12(16(18,19)20)15(11)22-8-21-14/h2-8H,1H3
InChIKeyPWHLKQBIOTYBKB-UHFFFAOYSA-N
XLogP4.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline 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 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline (CID 174590674) is 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline is COc1cc(Cl)ccc1-c1ncnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline?
The InChIKey is PWHLKQBIOTYBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c1-23-13-7-9(17)5-6-10(13)14-11-3-2-4-12(16(18,19)20)15(11)22-8-21-14/h2-8H,1H3.
What are the key properties of 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline?
4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline has a molecular weight of 338.72 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxyphenyl)-8-(trifluoromethyl)quinazoline is sourced from PubChem (CID 174590674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).