7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine

C20H18F6N4O3 — CID 170146898

IUPAC7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cc(C(F)(F)F)ccn3)c2cc1OCCOC(F)(F)F
InChIInChI=1S/C20H18F6N4O3/c1-11-29-15-9-16(31-2)17(32-5-6-33-20(24,25)26)8-14(15)18(30-11)28-10-13-7-12(3-4-27-13)19(21,22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,28,29,30)
InChIKeyDWIBHWRXLLUQCI-UHFFFAOYSA-N
MW476.38 g/mol
LogP4.89
Rot. Bonds8

About 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine

7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine (PubChem CID 170146898) has the molecular formula C20H18F6N4O3 and a molecular weight of 476.38 g/mol. Its IUPAC name is 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
PubChem CID170146898
Molecular FormulaC20H18F6N4O3
Molecular Weight476.38 g/mol
Exact Mass476.13
IUPAC Name7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cc(C(F)(F)F)ccn3)c2cc1OCCOC(F)(F)F
InChIInChI=1S/C20H18F6N4O3/c1-11-29-15-9-16(31-2)17(32-5-6-33-20(24,25)26)8-14(15)18(30-11)28-10-13-7-12(3-4-27-13)19(21,22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,28,29,30)
InChIKeyDWIBHWRXLLUQCI-UHFFFAOYSA-N
XLogP4.89
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
7-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146531
7-methoxy-2-methyl-6-[2-(oxetan-3-yloxy)ethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146381
N-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146882
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 170146414
6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146165
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-[2-(1-methylcyclobutyl)oxyethoxy]quinazolin-4-amine
CID 170146371
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146197
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146152
7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146834
6-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methoxy]-7-methoxy-2-methyl-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]quinazolin-4-amine
CID 170146007
N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146156

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine?
The IUPAC name of 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine (CID 170146898) is 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine?
The canonical SMILES for 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine is COc1cc2nc(C)nc(NCc3cc(C(F)(F)F)ccn3)c2cc1OCCOC(F)(F)F.
What is the InChIKey of 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine?
The InChIKey is DWIBHWRXLLUQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N4O3/c1-11-29-15-9-16(31-2)17(32-5-6-33-20(24,25)26)8-14(15)18(30-11)28-10-13-7-12(3-4-27-13)19(21,22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,28,29,30).
What are the key properties of 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine?
7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine has a molecular weight of 476.38 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 170146898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).