2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine

C18H15Cl2N3O — CID 86889499

IUPAC2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine
SMILESClc1ccc2c(N3CCOC(c4ccccc4Cl)C3)ncnc2c1
InChIInChI=1S/C18H15Cl2N3O/c19-12-5-6-14-16(9-12)21-11-22-18(14)23-7-8-24-17(10-23)13-3-1-2-4-15(13)20/h1-6,9,11,17H,7-8,10H2
InChIKeyOFONWEIZEKVCMV-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.51
Rot. Bonds2

About 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine

2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine (PubChem CID 86889499) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine
PubChem CID86889499
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine
SMILESClc1ccc2c(N3CCOC(c4ccccc4Cl)C3)ncnc2c1
InChIInChI=1S/C18H15Cl2N3O/c19-12-5-6-14-16(9-12)21-11-22-18(14)23-7-8-24-17(10-23)13-3-1-2-4-15(13)20/h1-6,9,11,17H,7-8,10H2
InChIKeyOFONWEIZEKVCMV-UHFFFAOYSA-N
XLogP4.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine?
The IUPAC name of 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine (CID 86889499) is 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine is Clc1ccc2c(N3CCOC(c4ccccc4Cl)C3)ncnc2c1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine?
The InChIKey is OFONWEIZEKVCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c19-12-5-6-14-16(9-12)21-11-22-18(14)23-7-8-24-17(10-23)13-3-1-2-4-15(13)20/h1-6,9,11,17H,7-8,10H2.
What are the key properties of 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine?
2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine has a molecular weight of 360.24 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine is sourced from PubChem (CID 86889499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).