8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline

C16H10FN5O — CID 138038997

IUPAC8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline
SMILESFc1cccc2c(Oc3ccc(-n4cncn4)cc3)ncnc12
InChIInChI=1S/C16H10FN5O/c17-14-3-1-2-13-15(14)19-9-20-16(13)23-12-6-4-11(5-7-12)22-10-18-8-21-22/h1-10H
InChIKeyGJRWUTBORFWMOV-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.14
Rot. Bonds3

About 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline

8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline (PubChem CID 138038997) has the molecular formula C16H10FN5O and a molecular weight of 307.29 g/mol. Its IUPAC name is 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline.

Molecular Properties

Compound Name8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline
PubChem CID138038997
Molecular FormulaC16H10FN5O
Molecular Weight307.29 g/mol
Exact Mass307.09
IUPAC Name8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline
SMILESFc1cccc2c(Oc3ccc(-n4cncn4)cc3)ncnc12
InChIInChI=1S/C16H10FN5O/c17-14-3-1-2-13-15(14)19-9-20-16(13)23-12-6-4-11(5-7-12)22-10-18-8-21-22/h1-10H
InChIKeyGJRWUTBORFWMOV-UHFFFAOYSA-N
XLogP3.14
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline?
The IUPAC name of 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline (CID 138038997) is 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline.
What is the SMILES notation for 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline?
The canonical SMILES for 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline is Fc1cccc2c(Oc3ccc(-n4cncn4)cc3)ncnc12.
What is the InChIKey of 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline?
The InChIKey is GJRWUTBORFWMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O/c17-14-3-1-2-13-15(14)19-9-20-16(13)23-12-6-4-11(5-7-12)22-10-18-8-21-22/h1-10H.
What are the key properties of 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline?
8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline has a molecular weight of 307.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline is sourced from PubChem (CID 138038997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).