7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

C17H14F3N3O2 — CID 110434448

IUPAC7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1ccc2c(Nc3cccc(C(F)(F)F)c3)ncnc2c1OC
InChIInChI=1S/C17H14F3N3O2/c1-24-13-7-6-12-14(15(13)25-2)21-9-22-16(12)23-11-5-3-4-10(8-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyPAZQVWGVTCKMAQ-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.41
Rot. Bonds4

About 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 110434448) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID110434448
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1ccc2c(Nc3cccc(C(F)(F)F)c3)ncnc2c1OC
InChIInChI=1S/C17H14F3N3O2/c1-24-13-7-6-12-14(15(13)25-2)21-9-22-16(12)23-11-5-3-4-10(8-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyPAZQVWGVTCKMAQ-UHFFFAOYSA-N
XLogP4.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine 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

3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 110434481
methyl 3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzoate
CID 110434452
7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
CID 110434476
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
CID 110434461
7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
CID 110434470
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148505
5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80738120
N-[3-(trifluoromethyl)phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110435108
7-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 5328200
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 110434448) is 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is COc1ccc2c(Nc3cccc(C(F)(F)F)c3)ncnc2c1OC.
What is the InChIKey of 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is PAZQVWGVTCKMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-24-13-7-6-12-14(15(13)25-2)21-9-22-16(12)23-11-5-3-4-10(8-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 349.31 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 110434448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).