ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate

C20H17F3N2O2 — CID 13365245

IUPACethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate
SMILESCCOC(=O)c1c(C)cc2cnc(-c3ccccc3C(F)(F)F)nc2c1C
InChIInChI=1S/C20H17F3N2O2/c1-4-27-19(26)16-11(2)9-13-10-24-18(25-17(13)12(16)3)14-7-5-6-8-15(14)20(21,22)23/h5-10H,4H2,1-3H3
InChIKeyIZLLPRQGWJOOKV-UHFFFAOYSA-N
MW374.36 g/mol
LogP5.11
Rot. Bonds3

About ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate

ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate (PubChem CID 13365245) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate
PubChem CID13365245
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Nameethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate
SMILESCCOC(=O)c1c(C)cc2cnc(-c3ccccc3C(F)(F)F)nc2c1C
InChIInChI=1S/C20H17F3N2O2/c1-4-27-19(26)16-11(2)9-13-10-24-18(25-17(13)12(16)3)14-7-5-6-8-15(14)20(21,22)23/h5-10H,4H2,1-3H3
InChIKeyIZLLPRQGWJOOKV-UHFFFAOYSA-N
XLogP5.11
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.36
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate 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 ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate?
The IUPAC name of ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate (CID 13365245) is ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate.
What is the SMILES notation for ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate?
The canonical SMILES for ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate is CCOC(=O)c1c(C)cc2cnc(-c3ccccc3C(F)(F)F)nc2c1C.
What is the InChIKey of ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate?
The InChIKey is IZLLPRQGWJOOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-4-27-19(26)16-11(2)9-13-10-24-18(25-17(13)12(16)3)14-7-5-6-8-15(14)20(21,22)23/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate?
ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate has a molecular weight of 374.36 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazoline-7-carboxylate is sourced from PubChem (CID 13365245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).