6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

C17H14F3N3O2 — CID 5328202

IUPAC6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1OC
InChIInChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyKEQCEKUDWPXRRQ-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.41
Rot. Bonds4

About 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 5328202) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID5328202
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1OC
InChIInChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyKEQCEKUDWPXRRQ-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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 5328202) is 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is COc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is KEQCEKUDWPXRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
6,7-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 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 5328202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).