4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine

C23H20N4O — CID 174954030

IUPAC4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine
SMILESc1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(N2CCOCC2)c1
InChIInChI=1S/C23H20N4O/c1-3-18(14-20(4-1)27-9-11-28-12-10-27)23-21(5-2-8-25-23)17-6-7-22-19(13-17)15-24-16-26-22/h1-8,13-16H,9-12H2
InChIKeyVVKZBZLVHIENQB-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.20
Rot. Bonds3

About 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine

4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine (PubChem CID 174954030) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine
PubChem CID174954030
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine
SMILESc1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(N2CCOCC2)c1
InChIInChI=1S/C23H20N4O/c1-3-18(14-20(4-1)27-9-11-28-12-10-27)23-21(5-2-8-25-23)17-6-7-22-19(13-17)15-24-16-26-22/h1-8,13-16H,9-12H2
InChIKeyVVKZBZLVHIENQB-UHFFFAOYSA-N
XLogP4.20
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine?
The IUPAC name of 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine (CID 174954030) is 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine.
What is the SMILES notation for 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine?
The canonical SMILES for 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine is c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(N2CCOCC2)c1.
What is the InChIKey of 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine?
The InChIKey is VVKZBZLVHIENQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-3-18(14-20(4-1)27-9-11-28-12-10-27)23-21(5-2-8-25-23)17-6-7-22-19(13-17)15-24-16-26-22/h1-8,13-16H,9-12H2.
What are the key properties of 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine?
4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine has a molecular weight of 368.44 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine is sourced from PubChem (CID 174954030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).