6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine

C17H11F6N3O — CID 171779519

IUPAC6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine
SMILESCc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)nc(C(F)(F)F)c2c1
InChIInChI=1S/C17H11F6N3O/c1-9-2-7-13-12(8-9)14(16(18,19)20)26-15(25-13)24-10-3-5-11(6-4-10)27-17(21,22)23/h2-8H,1H3,(H,24,25,26)
InChIKeyKDQMQABHKVUOEC-UHFFFAOYSA-N
MW387.28 g/mol
LogP5.60
Rot. Bonds3

About 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine

6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine (PubChem CID 171779519) has the molecular formula C17H11F6N3O and a molecular weight of 387.28 g/mol. Its IUPAC name is 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine
PubChem CID171779519
Molecular FormulaC17H11F6N3O
Molecular Weight387.28 g/mol
Exact Mass387.08
IUPAC Name6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine
SMILESCc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)nc(C(F)(F)F)c2c1
InChIInChI=1S/C17H11F6N3O/c1-9-2-7-13-12(8-9)14(16(18,19)20)26-15(25-13)24-10-3-5-11(6-4-10)27-17(21,22)23/h2-8H,1H3,(H,24,25,26)
InChIKeyKDQMQABHKVUOEC-UHFFFAOYSA-N
XLogP5.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine 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 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine?
The IUPAC name of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine (CID 171779519) is 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine.
What is the SMILES notation for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine?
The canonical SMILES for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine is Cc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)nc(C(F)(F)F)c2c1.
What is the InChIKey of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine?
The InChIKey is KDQMQABHKVUOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3O/c1-9-2-7-13-12(8-9)14(16(18,19)20)26-15(25-13)24-10-3-5-11(6-4-10)27-17(21,22)23/h2-8H,1H3,(H,24,25,26).
What are the key properties of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine?
6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine has a molecular weight of 387.28 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine is sourced from PubChem (CID 171779519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).