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

C17H12ClF3N2O — CID 174590763

IUPAC4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline
SMILESCOc1cc(Cl)ccc1-c1nc(C)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H12ClF3N2O/c1-9-22-15(11-7-6-10(18)8-14(11)24-2)12-4-3-5-13(16(12)23-9)17(19,20)21/h3-8H,1-2H3
InChIKeyKAFZUIFISJSFOE-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.29
Rot. Bonds2

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

4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline (PubChem CID 174590763) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline
PubChem CID174590763
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline
SMILESCOc1cc(Cl)ccc1-c1nc(C)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H12ClF3N2O/c1-9-22-15(11-7-6-10(18)8-14(11)24-2)12-4-3-5-13(16(12)23-9)17(19,20)21/h3-8H,1-2H3
InChIKeyKAFZUIFISJSFOE-UHFFFAOYSA-N
XLogP5.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline (CID 174590763) is 4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline is COc1cc(Cl)ccc1-c1nc(C)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline?
The InChIKey is KAFZUIFISJSFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c1-9-22-15(11-7-6-10(18)8-14(11)24-2)12-4-3-5-13(16(12)23-9)17(19,20)21/h3-8H,1-2H3.
What are the key properties of 4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline?
4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline has a molecular weight of 352.74 g/mol, XLogP of 5.29, 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)-2-methyl-8-(trifluoromethyl)quinazoline is sourced from PubChem (CID 174590763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).