4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine

C21H24ClN3O — CID 54757806

IUPAC4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN1CCOCC1
InChIInChI=1S/C21H24ClN3O/c1-16-23-20-8-7-18(22)15-19(20)21(17-5-3-2-4-6-17)25(16)10-9-24-11-13-26-14-12-24/h2-8,15,21H,9-14H2,1H3
InChIKeyXKTXYERIMLVMSP-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.13
Rot. Bonds4

About 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine

4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine (PubChem CID 54757806) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine
PubChem CID54757806
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN1CCOCC1
InChIInChI=1S/C21H24ClN3O/c1-16-23-20-8-7-18(22)15-19(20)21(17-5-3-2-4-6-17)25(16)10-9-24-11-13-26-14-12-24/h2-8,15,21H,9-14H2,1H3
InChIKeyXKTXYERIMLVMSP-UHFFFAOYSA-N
XLogP4.13
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine (CID 54757806) is 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN1CCOCC1.
What is the InChIKey of 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine?
The InChIKey is XKTXYERIMLVMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-16-23-20-8-7-18(22)15-19(20)21(17-5-3-2-4-6-17)25(16)10-9-24-11-13-26-14-12-24/h2-8,15,21H,9-14H2,1H3.
What are the key properties of 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine?
4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine has a molecular weight of 369.90 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine is sourced from PubChem (CID 54757806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).