6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine

C26H24F3N3O3 — CID 146197263

IUPAC6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCCc3cccc(-c4ccccc4OC(F)(F)F)c3)c2cc1OC
InChIInChI=1S/C26H24F3N3O3/c1-16-31-21-15-24(34-3)23(33-2)14-20(21)25(32-16)30-12-11-17-7-6-8-18(13-17)19-9-4-5-10-22(19)35-26(27,28)29/h4-10,13-15H,11-12H2,1-3H3,(H,30,31,32)
InChIKeyURAAPNSQGFTYTJ-UHFFFAOYSA-N
MW483.49 g/mol
LogP6.18
Rot. Bonds8

About 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine (PubChem CID 146197263) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine
PubChem CID146197263
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCCc3cccc(-c4ccccc4OC(F)(F)F)c3)c2cc1OC
InChIInChI=1S/C26H24F3N3O3/c1-16-31-21-15-24(34-3)23(33-2)14-20(21)25(32-16)30-12-11-17-7-6-8-18(13-17)19-9-4-5-10-22(19)35-26(27,28)29/h4-10,13-15H,11-12H2,1-3H3,(H,30,31,32)
InChIKeyURAAPNSQGFTYTJ-UHFFFAOYSA-N
XLogP6.18
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
CID 142432906
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146197
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
N-[(1R)-1-[3-[2-(aminomethyl)-4-fluorophenyl]phenyl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336581
N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142433057
7-methoxy-2-methyl-6-[2-(oxetan-3-yloxy)ethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146381
6,7-dimethoxy-2-phenyl-N-(2-pyridin-2-ylethyl)quinazolin-4-amine
CID 117093998
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
CID 164824073
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine (CID 146197263) is 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NCCc3cccc(-c4ccccc4OC(F)(F)F)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine?
The InChIKey is URAAPNSQGFTYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-16-31-21-15-24(34-3)23(33-2)14-20(21)25(32-16)30-12-11-17-7-6-8-18(13-17)19-9-4-5-10-22(19)35-26(27,28)29/h4-10,13-15H,11-12H2,1-3H3,(H,30,31,32).
What are the key properties of 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine has a molecular weight of 483.49 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 146197263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).