7-methoxy-5-propoxy-6H-quinazolin-4-one

C12H14N2O3 — CID 91507353

IUPAC7-methoxy-5-propoxy-6H-quinazolin-4-one
SMILESCCCOC1=C2C(=O)N=CN=C2C=C(OC)C1
InChIInChI=1S/C12H14N2O3/c1-3-4-17-10-6-8(16-2)5-9-11(10)12(15)14-7-13-9/h5,7H,3-4,6H2,1-2H3
InChIKeyBBAAHEYJDURZAS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.61
Rot. Bonds4

About 7-methoxy-5-propoxy-6H-quinazolin-4-one

7-methoxy-5-propoxy-6H-quinazolin-4-one (PubChem CID 91507353) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 7-methoxy-5-propoxy-6H-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-5-propoxy-6H-quinazolin-4-one
PubChem CID91507353
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name7-methoxy-5-propoxy-6H-quinazolin-4-one
SMILESCCCOC1=C2C(=O)N=CN=C2C=C(OC)C1
InChIInChI=1S/C12H14N2O3/c1-3-4-17-10-6-8(16-2)5-9-11(10)12(15)14-7-13-9/h5,7H,3-4,6H2,1-2H3
InChIKeyBBAAHEYJDURZAS-UHFFFAOYSA-N
XLogP1.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one
CID 91114673
7-Methoxyquinazoline-4,6-dione
CID 45074624
ethyl 4-oxo-6H-quinazoline-6-carboxylate
CID 71304277
6-ethoxy-6H-quinazolin-4-one
CID 72741421
5,6-dimethoxy-6H-quinazolin-4-one
CID 72741422

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-propoxy-6H-quinazolin-4-one?
The IUPAC name of 7-methoxy-5-propoxy-6H-quinazolin-4-one (CID 91507353) is 7-methoxy-5-propoxy-6H-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-5-propoxy-6H-quinazolin-4-one?
The canonical SMILES for 7-methoxy-5-propoxy-6H-quinazolin-4-one is CCCOC1=C2C(=O)N=CN=C2C=C(OC)C1.
What is the InChIKey of 7-methoxy-5-propoxy-6H-quinazolin-4-one?
The InChIKey is BBAAHEYJDURZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-4-17-10-6-8(16-2)5-9-11(10)12(15)14-7-13-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 7-methoxy-5-propoxy-6H-quinazolin-4-one?
7-methoxy-5-propoxy-6H-quinazolin-4-one has a molecular weight of 234.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-propoxy-6H-quinazolin-4-one is sourced from PubChem (CID 91507353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).