N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine

C20H20F3N3O — CID 5330923

IUPACN-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2nc(C(F)(F)F)nc(NC(C)(C)C)c2c1
InChIInChI=1S/C20H20F3N3O/c1-19(2,3)26-17-14-11-12(13-7-5-6-8-16(13)27-4)9-10-15(14)24-18(25-17)20(21,22)23/h5-11H,1-4H3,(H,24,25,26)
InChIKeyOWLIGKREHOHKOG-UHFFFAOYSA-N
MW375.39 g/mol
LogP5.53
Rot. Bonds3

About N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine

N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 5330923) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID5330923
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC NameN-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2nc(C(F)(F)F)nc(NC(C)(C)C)c2c1
InChIInChI=1S/C20H20F3N3O/c1-19(2,3)26-17-14-11-12(13-7-5-6-8-16(13)27-4)9-10-15(14)24-18(25-17)20(21,22)23/h5-11H,1-4H3,(H,24,25,26)
InChIKeyOWLIGKREHOHKOG-UHFFFAOYSA-N
XLogP5.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 5330923) is N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine is COc1ccccc1-c1ccc2nc(C(F)(F)F)nc(NC(C)(C)C)c2c1.
What is the InChIKey of N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is OWLIGKREHOHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-19(2,3)26-17-14-11-12(13-7-5-6-8-16(13)27-4)9-10-15(14)24-18(25-17)20(21,22)23/h5-11H,1-4H3,(H,24,25,26).
What are the key properties of N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 375.39 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 5330923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).