8-methoxy-1H-quinazolin-2-one

C9H8N2O2 — CID 53438636

IUPAC8-methoxy-1H-quinazolin-2-one
SMILESCOc1cccc2cnc(=O)[nH]c12
InChIInChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-5-10-9(12)11-8(6)7/h2-5H,1H3,(H,10,11,12)
InChIKeyBAVJXQGTDBVDAX-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.93
Rot. Bonds1

About 8-methoxy-1H-quinazolin-2-one

8-methoxy-1H-quinazolin-2-one (PubChem CID 53438636) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 8-methoxy-1H-quinazolin-2-one.

Molecular Properties

Compound Name8-methoxy-1H-quinazolin-2-one
PubChem CID53438636
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name8-methoxy-1H-quinazolin-2-one
SMILESCOc1cccc2cnc(=O)[nH]c12
InChIInChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-5-10-9(12)11-8(6)7/h2-5H,1H3,(H,10,11,12)
InChIKeyBAVJXQGTDBVDAX-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 8-methoxy-1H-quinazolin-2-one?
The IUPAC name of 8-methoxy-1H-quinazolin-2-one (CID 53438636) is 8-methoxy-1H-quinazolin-2-one.
What is the SMILES notation for 8-methoxy-1H-quinazolin-2-one?
The canonical SMILES for 8-methoxy-1H-quinazolin-2-one is COc1cccc2cnc(=O)[nH]c12.
What is the InChIKey of 8-methoxy-1H-quinazolin-2-one?
The InChIKey is BAVJXQGTDBVDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-5-10-9(12)11-8(6)7/h2-5H,1H3,(H,10,11,12).
What are the key properties of 8-methoxy-1H-quinazolin-2-one?
8-methoxy-1H-quinazolin-2-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 8-methoxy-1H-quinazolin-2-one is sourced from PubChem (CID 53438636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).