2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine

C20H20ClN3O3 — CID 24855235

IUPAC2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
SMILESCOc1cc2ncnc(N3CCOC(c4ccc(Cl)cc4)C3)c2cc1OC
InChIInChI=1S/C20H20ClN3O3/c1-25-17-9-15-16(10-18(17)26-2)22-12-23-20(15)24-7-8-27-19(11-24)13-3-5-14(21)6-4-13/h3-6,9-10,12,19H,7-8,11H2,1-2H3
InChIKeyQFABJLGPZFVSDM-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine

2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine (PubChem CID 24855235) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
PubChem CID24855235
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
SMILESCOc1cc2ncnc(N3CCOC(c4ccc(Cl)cc4)C3)c2cc1OC
InChIInChI=1S/C20H20ClN3O3/c1-25-17-9-15-16(10-18(17)26-2)22-12-23-20(15)24-7-8-27-19(11-24)13-3-5-14(21)6-4-13/h3-6,9-10,12,19H,7-8,11H2,1-2H3
InChIKeyQFABJLGPZFVSDM-UHFFFAOYSA-N
XLogP3.88
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine (CID 24855235) is 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine is COc1cc2ncnc(N3CCOC(c4ccc(Cl)cc4)C3)c2cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The InChIKey is QFABJLGPZFVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-25-17-9-15-16(10-18(17)26-2)22-12-23-20(15)24-7-8-27-19(11-24)13-3-5-14(21)6-4-13/h3-6,9-10,12,19H,7-8,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine has a molecular weight of 385.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine is sourced from PubChem (CID 24855235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).