7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine

C18H16F3N3O — CID 110431386

IUPAC7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc2c(NCc3ccc(C)cc3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C18H16F3N3O/c1-11-3-5-12(6-4-11)10-22-16-14-8-7-13(25-2)9-15(14)23-17(24-16)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyOZNUMCAGKQVEKW-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.58
Rot. Bonds4

About 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine

7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110431386) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110431386
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc2c(NCc3ccc(C)cc3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C18H16F3N3O/c1-11-3-5-12(6-4-11)10-22-16-14-8-7-13(25-2)9-15(14)23-17(24-16)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyOZNUMCAGKQVEKW-UHFFFAOYSA-N
XLogP4.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 110431386) is 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine is COc1ccc2c(NCc3ccc(C)cc3)nc(C(F)(F)F)nc2c1.
What is the InChIKey of 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is OZNUMCAGKQVEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-11-3-5-12(6-4-11)10-22-16-14-8-7-13(25-2)9-15(14)23-17(24-16)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23,24).
What are the key properties of 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine?
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 347.34 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110431386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).