5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline

C13H13F3N2O — CID 162752945

IUPAC5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline
SMILESCOc1cccc2ncnc(CCCC(F)(F)F)c12
InChIInChI=1S/C13H13F3N2O/c1-19-11-6-2-4-9-12(11)10(18-8-17-9)5-3-7-13(14,15)16/h2,4,6,8H,3,5,7H2,1H3
InChIKeyUEEWQLUDTDMHTE-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.52
Rot. Bonds4

About 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline

5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline (PubChem CID 162752945) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline.

Molecular Properties

Compound Name5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline
PubChem CID162752945
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline
SMILESCOc1cccc2ncnc(CCCC(F)(F)F)c12
InChIInChI=1S/C13H13F3N2O/c1-19-11-6-2-4-9-12(11)10(18-8-17-9)5-3-7-13(14,15)16/h2,4,6,8H,3,5,7H2,1H3
InChIKeyUEEWQLUDTDMHTE-UHFFFAOYSA-N
XLogP3.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline?
The IUPAC name of 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline (CID 162752945) is 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline.
What is the SMILES notation for 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline?
The canonical SMILES for 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline is COc1cccc2ncnc(CCCC(F)(F)F)c12.
What is the InChIKey of 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline?
The InChIKey is UEEWQLUDTDMHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-19-11-6-2-4-9-12(11)10(18-8-17-9)5-3-7-13(14,15)16/h2,4,6,8H,3,5,7H2,1H3.
What are the key properties of 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline?
5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline has a molecular weight of 270.25 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4,4,4-trifluorobutyl)quinazoline is sourced from PubChem (CID 162752945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).