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

C17H11F6N3O — CID 7719355

IUPAC7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1ccc2c(Nc3cccc(C(F)(F)F)c3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C17H11F6N3O/c1-27-11-5-6-12-13(8-11)25-15(17(21,22)23)26-14(12)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H,24,25,26)
InChIKeyLODWSEXGWRQDMT-UHFFFAOYSA-N
MW387.28 g/mol
LogP5.42
Rot. Bonds3

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

7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 7719355) has the molecular formula C17H11F6N3O and a molecular weight of 387.28 g/mol. Its IUPAC name is 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID7719355
Molecular FormulaC17H11F6N3O
Molecular Weight387.28 g/mol
Exact Mass387.08
IUPAC Name7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1ccc2c(Nc3cccc(C(F)(F)F)c3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C17H11F6N3O/c1-27-11-5-6-12-13(8-11)25-15(17(21,22)23)26-14(12)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H,24,25,26)
InChIKeyLODWSEXGWRQDMT-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003443
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433067
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110435775
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 121284743
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-nitrophenol
CID 21003723
7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine
CID 142383065

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 7719355) is 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is COc1ccc2c(Nc3cccc(C(F)(F)F)c3)nc(C(F)(F)F)nc2c1.
What is the InChIKey of 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is LODWSEXGWRQDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3O/c1-27-11-5-6-12-13(8-11)25-15(17(21,22)23)26-14(12)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H,24,25,26).
What are the key properties of 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 387.28 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 7719355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).