2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

C27H17F6N5O — CID 22030416

IUPAC2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(C(F)(F)F)cc3)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)cn1
InChIInChI=1S/C27H17F6N5O/c1-39-22-11-5-16(14-35-22)24-37-21-13-15(23-20(27(31,32)33)3-2-12-34-23)4-10-19(21)25(38-24)36-18-8-6-17(7-9-18)26(28,29)30/h2-14H,1H3,(H,36,37,38)
InChIKeyWABBVNXNKAQRFO-UHFFFAOYSA-N
MW541.46 g/mol
LogP7.54
Rot. Bonds5

About 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (PubChem CID 22030416) has the molecular formula C27H17F6N5O and a molecular weight of 541.46 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
PubChem CID22030416
Molecular FormulaC27H17F6N5O
Molecular Weight541.46 g/mol
Exact Mass541.13
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(C(F)(F)F)cc3)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)cn1
InChIInChI=1S/C27H17F6N5O/c1-39-22-11-5-16(14-35-22)24-37-21-13-15(23-20(27(31,32)33)3-2-12-34-23)4-10-19(21)25(38-24)36-18-8-6-17(7-9-18)26(28,29)30/h2-14H,1H3,(H,36,37,38)
InChIKeyWABBVNXNKAQRFO-UHFFFAOYSA-N
XLogP7.54
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.46
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (CID 22030416) is 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is COc1ccc(-c2nc(Nc3ccc(C(F)(F)F)cc3)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The InChIKey is WABBVNXNKAQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F6N5O/c1-39-22-11-5-16(14-35-22)24-37-21-13-15(23-20(27(31,32)33)3-2-12-34-23)4-10-19(21)25(38-24)36-18-8-6-17(7-9-18)26(28,29)30/h2-14H,1H3,(H,36,37,38).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine has a molecular weight of 541.46 g/mol, XLogP of 7.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 22030416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).