7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline

C15H13F3N4O — CID 143844735

IUPAC7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline
SMILESCOc1ccc2c(C)nc(-n3ccc(C(F)(F)F)n3)nc2c1C
InChIInChI=1S/C15H13F3N4O/c1-8-11(23-3)5-4-10-9(2)19-14(20-13(8)10)22-7-6-12(21-22)15(16,17)18/h4-7H,1-3H3
InChIKeyXYNIKXHHOBLIRN-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.46
Rot. Bonds2

About 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline

7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline (PubChem CID 143844735) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline.

Molecular Properties

Compound Name7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline
PubChem CID143844735
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline
SMILESCOc1ccc2c(C)nc(-n3ccc(C(F)(F)F)n3)nc2c1C
InChIInChI=1S/C15H13F3N4O/c1-8-11(23-3)5-4-10-9(2)19-14(20-13(8)10)22-7-6-12(21-22)15(16,17)18/h4-7H,1-3H3
InChIKeyXYNIKXHHOBLIRN-UHFFFAOYSA-N
XLogP3.46
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline?
The IUPAC name of 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline (CID 143844735) is 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline.
What is the SMILES notation for 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline?
The canonical SMILES for 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline is COc1ccc2c(C)nc(-n3ccc(C(F)(F)F)n3)nc2c1C.
What is the InChIKey of 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline?
The InChIKey is XYNIKXHHOBLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-8-11(23-3)5-4-10-9(2)19-14(20-13(8)10)22-7-6-12(21-22)15(16,17)18/h4-7H,1-3H3.
What are the key properties of 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline?
7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline has a molecular weight of 322.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline is sourced from PubChem (CID 143844735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).