4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline

C18H14FN5O — CID 86578955

IUPAC4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline
SMILESCc1nc(OCc2nc(-c3ccc(F)cc3)n[nH]2)c2ccccc2n1
InChIInChI=1S/C18H14FN5O/c1-11-20-15-5-3-2-4-14(15)18(21-11)25-10-16-22-17(24-23-16)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,22,23,24)
InChIKeyTVEOUHXSPILXGX-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.44
Rot. Bonds4

About 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline

4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline (PubChem CID 86578955) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline
PubChem CID86578955
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline
SMILESCc1nc(OCc2nc(-c3ccc(F)cc3)n[nH]2)c2ccccc2n1
InChIInChI=1S/C18H14FN5O/c1-11-20-15-5-3-2-4-14(15)18(21-11)25-10-16-22-17(24-23-16)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,22,23,24)
InChIKeyTVEOUHXSPILXGX-UHFFFAOYSA-N
XLogP3.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline?
The IUPAC name of 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline (CID 86578955) is 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline?
The canonical SMILES for 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline is Cc1nc(OCc2nc(-c3ccc(F)cc3)n[nH]2)c2ccccc2n1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline?
The InChIKey is TVEOUHXSPILXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-11-20-15-5-3-2-4-14(15)18(21-11)25-10-16-22-17(24-23-16)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,22,23,24).
What are the key properties of 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline?
4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline has a molecular weight of 335.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-methylquinazoline is sourced from PubChem (CID 86578955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).