2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline

C16H7ClF6N2 — CID 21062562

IUPAC2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2nc(Cl)c3ccccc3n2)c1
InChIInChI=1S/C16H7ClF6N2/c17-13-9-3-1-2-4-12(9)24-14(25-13)10-7-8(15(18,19)20)5-6-11(10)16(21,22)23/h1-7H
InChIKeyNXTJZBSKVJYOFG-UHFFFAOYSA-N
MW376.69 g/mol
LogP5.99
Rot. Bonds1

About 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline

2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline (PubChem CID 21062562) has the molecular formula C16H7ClF6N2 and a molecular weight of 376.69 g/mol. Its IUPAC name is 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline.

Molecular Properties

Compound Name2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline
PubChem CID21062562
Molecular FormulaC16H7ClF6N2
Molecular Weight376.69 g/mol
Exact Mass376.02
IUPAC Name2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2nc(Cl)c3ccccc3n2)c1
InChIInChI=1S/C16H7ClF6N2/c17-13-9-3-1-2-4-12(9)24-14(25-13)10-7-8(15(18,19)20)5-6-11(10)16(21,22)23/h1-7H
InChIKeyNXTJZBSKVJYOFG-UHFFFAOYSA-N
XLogP5.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

4-Chloro-2-(trichloromethyl)quinazoline
CID 618704
4-Chloro-2-phenylquinazoline
CID 80977
N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5330922
4-(Dichloromethyl)-2-(4-methylphenyl)quinazoline
CID 833065
6-chloro-2-quinolin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 11374791
2-Chloro-4-(4-methylphenyl)quinazoline
CID 3122268
2-Chloro-4-phenylquinazoline
CID 3123582
2,4-Dichloroquinazoline
CID 252886
4-Chloro-2-(trifluoromethyl)quinazoline
CID 1475435
2,6-Dichloro-4-phenylquinazoline
CID 1628221
N-tert-butyl-6-(4-chlorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330929
6-(4-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5330931

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline?
The IUPAC name of 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline (CID 21062562) is 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline.
What is the SMILES notation for 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline?
The canonical SMILES for 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline is FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc(Cl)c3ccccc3n2)c1.
What is the InChIKey of 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline?
The InChIKey is NXTJZBSKVJYOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF6N2/c17-13-9-3-1-2-4-12(9)24-14(25-13)10-7-8(15(18,19)20)5-6-11(10)16(21,22)23/h1-7H.
What are the key properties of 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline?
2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline has a molecular weight of 376.69 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(trifluoromethyl)phenyl]-4-chloroquinazoline is sourced from PubChem (CID 21062562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).