1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline

C23H16FN3O — CID 1045870

IUPAC1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccccc1COc1ccc(-c2nnc3ccc4ccccc4n23)cc1
InChIInChI=1S/C23H16FN3O/c24-20-7-3-1-6-18(20)15-28-19-12-9-17(10-13-19)23-26-25-22-14-11-16-5-2-4-8-21(16)27(22)23/h1-14H,15H2
InChIKeyGCDZYCBQHFFYCH-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.27
Rot. Bonds4

About 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline

1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 1045870) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID1045870
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccccc1COc1ccc(-c2nnc3ccc4ccccc4n23)cc1
InChIInChI=1S/C23H16FN3O/c24-20-7-3-1-6-18(20)15-28-19-12-9-17(10-13-19)23-26-25-22-14-11-16-5-2-4-8-21(16)27(22)23/h1-14H,15H2
InChIKeyGCDZYCBQHFFYCH-UHFFFAOYSA-N
XLogP5.27
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline (CID 1045870) is 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline is Fc1ccccc1COc1ccc(-c2nnc3ccc4ccccc4n23)cc1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is GCDZYCBQHFFYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-20-7-3-1-6-18(20)15-28-19-12-9-17(10-13-19)23-26-25-22-14-11-16-5-2-4-8-21(16)27(22)23/h1-14H,15H2.
What are the key properties of 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline?
1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 369.40 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 1045870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).