4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline

C11H8ClF3N2O2 — CID 22693550

IUPAC4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
SMILESCOc1cc2nc(C(F)(F)F)nc(Cl)c2cc1OC
InChIInChI=1S/C11H8ClF3N2O2/c1-18-7-3-5-6(4-8(7)19-2)16-10(11(13,14)15)17-9(5)12/h3-4H,1-2H3
InChIKeyYMCGAIKBFPLEEO-UHFFFAOYSA-N
MW292.64 g/mol
LogP3.32
Rot. Bonds2

About 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline

4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline (PubChem CID 22693550) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
PubChem CID22693550
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Name4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
SMILESCOc1cc2nc(C(F)(F)F)nc(Cl)c2cc1OC
InChIInChI=1S/C11H8ClF3N2O2/c1-18-7-3-5-6(4-8(7)19-2)16-10(11(13,14)15)17-9(5)12/h3-4H,1-2H3
InChIKeyYMCGAIKBFPLEEO-UHFFFAOYSA-N
XLogP3.32
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline (CID 22693550) is 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline is COc1cc2nc(C(F)(F)F)nc(Cl)c2cc1OC.
What is the InChIKey of 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline?
The InChIKey is YMCGAIKBFPLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c1-18-7-3-5-6(4-8(7)19-2)16-10(11(13,14)15)17-9(5)12/h3-4H,1-2H3.
What are the key properties of 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline?
4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline has a molecular weight of 292.64 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 22693550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).