4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine

C20H20ClN3O — CID 23828257

IUPAC4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC(C)O1
InChIInChI=1S/C20H20ClN3O/c1-13-11-24(12-14(2)25-13)20-16-8-4-6-10-18(16)22-19(23-20)15-7-3-5-9-17(15)21/h3-10,13-14H,11-12H2,1-2H3
InChIKeyUKVNYLUHVZTAFK-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.56
Rot. Bonds2

About 4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine

4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine (PubChem CID 23828257) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
PubChem CID23828257
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC(C)O1
InChIInChI=1S/C20H20ClN3O/c1-13-11-24(12-14(2)25-13)20-16-8-4-6-10-18(16)22-19(23-20)15-7-3-5-9-17(15)21/h3-10,13-14H,11-12H2,1-2H3
InChIKeyUKVNYLUHVZTAFK-UHFFFAOYSA-N
XLogP4.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.56
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]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine (CID 23828257) is 4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine is CC1CN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC(C)O1.
What is the InChIKey of 4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is UKVNYLUHVZTAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-13-11-24(12-14(2)25-13)20-16-8-4-6-10-18(16)22-19(23-20)15-7-3-5-9-17(15)21/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine?
4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 353.85 g/mol, XLogP of 4.56, 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]-2,6-dimethylmorpholine is sourced from PubChem (CID 23828257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).