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

C19H16FN5O — CID 20874455

IUPAC4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
SMILESFc1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1
InChIInChI=1S/C19H16FN5O/c20-14-7-5-13(6-8-14)17-19-21-18(24-9-11-26-12-10-24)15-3-1-2-4-16(15)25(19)23-22-17/h1-8H,9-12H2
InChIKeyARMHAHHWIUBCJA-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.92
Rot. Bonds2

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

4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine (PubChem CID 20874455) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
PubChem CID20874455
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
SMILESFc1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1
InChIInChI=1S/C19H16FN5O/c20-14-7-5-13(6-8-14)17-19-21-18(24-9-11-26-12-10-24)15-3-1-2-4-16(15)25(19)23-22-17/h1-8H,9-12H2
InChIKeyARMHAHHWIUBCJA-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-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine (CID 20874455) is 4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine is Fc1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine?
The InChIKey is ARMHAHHWIUBCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-14-7-5-13(6-8-14)17-19-21-18(24-9-11-26-12-10-24)15-3-1-2-4-16(15)25(19)23-22-17/h1-8H,9-12H2.
What are the key properties of 4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine?
4-[3-(4-fluorophenyl)triazolo[1,5-a]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-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine is sourced from PubChem (CID 20874455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).