7-methoxy-3H-quinazolin-4-one

C9H8N2O2 — CID 135465958

IUPAC7-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)
InChIKeyPPGWFCHOWMFNRI-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.93
Rot. Bonds1

About 7-methoxy-3H-quinazolin-4-one

7-methoxy-3H-quinazolin-4-one (PubChem CID 135465958) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 7-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3H-quinazolin-4-one
PubChem CID135465958
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name7-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)
InChIKeyPPGWFCHOWMFNRI-UHFFFAOYSA-N
XLogP0.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3H-quinazolin-4-one?
The IUPAC name of 7-methoxy-3H-quinazolin-4-one (CID 135465958) is 7-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 7-methoxy-3H-quinazolin-4-one is COc1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 7-methoxy-3H-quinazolin-4-one?
The InChIKey is PPGWFCHOWMFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12).
What are the key properties of 7-methoxy-3H-quinazolin-4-one?
7-methoxy-3H-quinazolin-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135465958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).