4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine

C18H16ClN3O — CID 710949

IUPAC4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine
SMILESClc1ccccc1-c1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C18H16ClN3O/c19-15-7-3-1-5-13(15)17-20-16-8-4-2-6-14(16)18(21-17)22-9-11-23-12-10-22/h1-8H,9-12H2
InChIKeyLIYHIJGGALGVKJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.79
Rot. Bonds2

About 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine

4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine (PubChem CID 710949) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine
PubChem CID710949
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine
SMILESClc1ccccc1-c1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C18H16ClN3O/c19-15-7-3-1-5-13(15)17-20-16-8-4-2-6-14(16)18(21-17)22-9-11-23-12-10-22/h1-8H,9-12H2
InChIKeyLIYHIJGGALGVKJ-UHFFFAOYSA-N
XLogP3.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine (CID 710949) is 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine is Clc1ccccc1-c1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine?
The InChIKey is LIYHIJGGALGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-7-3-1-5-13(15)17-20-16-8-4-2-6-14(16)18(21-17)22-9-11-23-12-10-22/h1-8H,9-12H2.
What are the key properties of 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine?
4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine has a molecular weight of 325.80 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 710949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).