7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one

C16H21N3O4 — CID 135399673

IUPAC7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
SMILESCOc1cc2nc[nH]c(=O)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20)
InChIKeyWFUBWLXSYCFZEH-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.03
Rot. Bonds6

About 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one

7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one (PubChem CID 135399673) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
PubChem CID135399673
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
SMILESCOc1cc2nc[nH]c(=O)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20)
InChIKeyWFUBWLXSYCFZEH-UHFFFAOYSA-N
XLogP1.03
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The IUPAC name of 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one (CID 135399673) is 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The canonical SMILES for 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one is COc1cc2nc[nH]c(=O)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The InChIKey is WFUBWLXSYCFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20).
What are the key properties of 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one has a molecular weight of 319.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 135399673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).