6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

C23H21F6N3O2 — CID 170146747

IUPAC6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESCc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(OCCOC3CC3)c(C(F)(F)F)cc2n1
InChIInChI=1S/C23H21F6N3O2/c1-13-31-19-11-18(23(27,28)29)20(34-8-7-33-16-5-6-16)10-17(19)21(32-13)30-12-14-3-2-4-15(9-14)22(24,25)26/h2-4,9-11,16H,5-8,12H2,1H3,(H,30,31,32)
InChIKeyJHBPJGRAYDMBKW-UHFFFAOYSA-N
MW485.43 g/mol
LogP6.15
Rot. Bonds8

About 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 170146747) has the molecular formula C23H21F6N3O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID170146747
Molecular FormulaC23H21F6N3O2
Molecular Weight485.43 g/mol
Exact Mass485.15
IUPAC Name6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESCc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(OCCOC3CC3)c(C(F)(F)F)cc2n1
InChIInChI=1S/C23H21F6N3O2/c1-13-31-19-11-18(23(27,28)29)20(34-8-7-33-16-5-6-16)10-17(19)21(32-13)30-12-14-3-2-4-15(9-14)22(24,25)26/h2-4,9-11,16H,5-8,12H2,1H3,(H,30,31,32)
InChIKeyJHBPJGRAYDMBKW-UHFFFAOYSA-N
XLogP6.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146165
7-methoxy-2-methyl-6-[2-(oxetan-3-yloxy)ethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146381
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
6-(2-cyclopropyloxyethoxy)-4-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methylamino]-2-methylquinazoline-7-carbonitrile
CID 170146760
2-[3-[[[6-(2-cyclopropyloxyethoxy)-7-(2-methoxyethoxy)-2-methylquinazolin-4-yl]amino]methyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 170146737
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine
CID 170146176
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146197
5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-11,14,17-trioxa-4,6-diazatricyclo[8.7.0.03,8]heptadeca-1(10),2,4,6,8-pentaen-7-amine
CID 167153847
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146152
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-[2-(1-methylcyclobutyl)oxyethoxy]quinazolin-4-amine
CID 170146371
N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146156
chloromethane;2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 155686412

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (CID 170146747) is 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is Cc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(OCCOC3CC3)c(C(F)(F)F)cc2n1.
What is the InChIKey of 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is JHBPJGRAYDMBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N3O2/c1-13-31-19-11-18(23(27,28)29)20(34-8-7-33-16-5-6-16)10-17(19)21(32-13)30-12-14-3-2-4-15(9-14)22(24,25)26/h2-4,9-11,16H,5-8,12H2,1H3,(H,30,31,32).
What are the key properties of 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 485.43 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 170146747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).