7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine

C23H27F3N4O3 — CID 170146834

IUPAC7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
SMILESCOCC(Oc1cc2c(NCc3cccc(C(F)(F)F)n3)nc(C)nc2cc1OC)C(C)C
InChIInChI=1S/C23H27F3N4O3/c1-13(2)20(12-31-4)33-19-9-16-17(10-18(19)32-5)28-14(3)29-22(16)27-11-15-7-6-8-21(30-15)23(24,25)26/h6-10,13,20H,11-12H2,1-5H3,(H,27,28,29)
InChIKeyNOZBCQUIOOCQSH-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.02
Rot. Bonds9

About 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine

7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine (PubChem CID 170146834) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
PubChem CID170146834
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
SMILESCOCC(Oc1cc2c(NCc3cccc(C(F)(F)F)n3)nc(C)nc2cc1OC)C(C)C
InChIInChI=1S/C23H27F3N4O3/c1-13(2)20(12-31-4)33-19-9-16-17(10-18(19)32-5)28-14(3)29-22(16)27-11-15-7-6-8-21(30-15)23(24,25)26/h6-10,13,20H,11-12H2,1-5H3,(H,27,28,29)
InChIKeyNOZBCQUIOOCQSH-UHFFFAOYSA-N
XLogP5.02
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[4-(methylideneamino)-6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146835
7-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146531
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146197
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 170146414
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
N-[[2,5-difluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxyquinazolin-4-amine
CID 170146224
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146881
N-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146882
7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146898
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine
CID 170146823
7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 167166011
2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol
CID 167194246

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine?
The IUPAC name of 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine (CID 170146834) is 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine?
The canonical SMILES for 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine is COCC(Oc1cc2c(NCc3cccc(C(F)(F)F)n3)nc(C)nc2cc1OC)C(C)C.
What is the InChIKey of 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine?
The InChIKey is NOZBCQUIOOCQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-13(2)20(12-31-4)33-19-9-16-17(10-18(19)32-5)28-14(3)29-22(16)27-11-15-7-6-8-21(30-15)23(24,25)26/h6-10,13,20H,11-12H2,1-5H3,(H,27,28,29).
What are the key properties of 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine?
7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine has a molecular weight of 464.49 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 170146834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).