4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine

C19H16FN5O — CID 3597984

IUPAC4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
SMILESFc1ccccc1-c1nnc2c3ccccc3nc(N3CCOCC3)n12
InChIInChI=1S/C19H16FN5O/c20-15-7-3-1-5-13(15)17-22-23-18-14-6-2-4-8-16(14)21-19(25(17)18)24-9-11-26-12-10-24/h1-8H,9-12H2
InChIKeyAATWOCQIOXWWRO-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.92
Rot. Bonds2

About 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine

4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine (PubChem CID 3597984) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
PubChem CID3597984
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
SMILESFc1ccccc1-c1nnc2c3ccccc3nc(N3CCOCC3)n12
InChIInChI=1S/C19H16FN5O/c20-15-7-3-1-5-13(15)17-22-23-18-14-6-2-4-8-16(14)21-19(25(17)18)24-9-11-26-12-10-24/h1-8H,9-12H2
InChIKeyAATWOCQIOXWWRO-UHFFFAOYSA-N
XLogP2.92
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The IUPAC name of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine (CID 3597984) is 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The canonical SMILES for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine is Fc1ccccc1-c1nnc2c3ccccc3nc(N3CCOCC3)n12.
What is the InChIKey of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The InChIKey is AATWOCQIOXWWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-15-7-3-1-5-13(15)17-22-23-18-14-6-2-4-8-16(14)21-19(25(17)18)24-9-11-26-12-10-24/h1-8H,9-12H2.
What are the key properties of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine has a molecular weight of 349.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine is sourced from PubChem (CID 3597984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).