4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine

C19H15ClFN5O — CID 8721556

IUPAC4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
SMILESFc1cccc(-c2nnn3c2nc(N2CCOCC2)c2cc(Cl)ccc23)c1
InChIInChI=1S/C19H15ClFN5O/c20-13-4-5-16-15(11-13)18(25-6-8-27-9-7-25)22-19-17(23-24-26(16)19)12-2-1-3-14(21)10-12/h1-5,10-11H,6-9H2
InChIKeyAEXGGFYWPHAEIX-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.57
Rot. Bonds2

About 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine

4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine (PubChem CID 8721556) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
PubChem CID8721556
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Name4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
SMILESFc1cccc(-c2nnn3c2nc(N2CCOCC2)c2cc(Cl)ccc23)c1
InChIInChI=1S/C19H15ClFN5O/c20-13-4-5-16-15(11-13)18(25-6-8-27-9-7-25)22-19-17(23-24-26(16)19)12-2-1-3-14(21)10-12/h1-5,10-11H,6-9H2
InChIKeyAEXGGFYWPHAEIX-UHFFFAOYSA-N
XLogP3.57
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine?
The IUPAC name of 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine (CID 8721556) is 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine.
What is the SMILES notation for 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine?
The canonical SMILES for 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine is Fc1cccc(-c2nnn3c2nc(N2CCOCC2)c2cc(Cl)ccc23)c1.
What is the InChIKey of 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine?
The InChIKey is AEXGGFYWPHAEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O/c20-13-4-5-16-15(11-13)18(25-6-8-27-9-7-25)22-19-17(23-24-26(16)19)12-2-1-3-14(21)10-12/h1-5,10-11H,6-9H2.
What are the key properties of 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine?
4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine has a molecular weight of 383.81 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine is sourced from PubChem (CID 8721556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).