4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine

C15H19N3O4 — CID 22082862

IUPAC4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
SMILESCOc1cc2nc(N3CCOCC3)nc(OC)c2cc1OC
InChIInChI=1S/C15H19N3O4/c1-19-12-8-10-11(9-13(12)20-2)16-15(17-14(10)21-3)18-4-6-22-7-5-18/h8-9H,4-7H2,1-3H3
InChIKeyZPPGIAJHTBCXOF-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.49
Rot. Bonds4

About 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine

4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine (PubChem CID 22082862) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
PubChem CID22082862
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
SMILESCOc1cc2nc(N3CCOCC3)nc(OC)c2cc1OC
InChIInChI=1S/C15H19N3O4/c1-19-12-8-10-11(9-13(12)20-2)16-15(17-14(10)21-3)18-4-6-22-7-5-18/h8-9H,4-7H2,1-3H3
InChIKeyZPPGIAJHTBCXOF-UHFFFAOYSA-N
XLogP1.49
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine?
The IUPAC name of 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine (CID 22082862) is 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine.
What is the SMILES notation for 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine?
The canonical SMILES for 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine is COc1cc2nc(N3CCOCC3)nc(OC)c2cc1OC.
What is the InChIKey of 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine?
The InChIKey is ZPPGIAJHTBCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-19-12-8-10-11(9-13(12)20-2)16-15(17-14(10)21-3)18-4-6-22-7-5-18/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine?
4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine has a molecular weight of 305.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine is sourced from PubChem (CID 22082862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).