2-methoxy-6,7-dihydro-5H-quinazolin-8-one

C9H10N2O2 — CID 155777658

IUPAC2-methoxy-6,7-dihydro-5H-quinazolin-8-one
SMILESCOc1ncc2c(n1)C(=O)CCC2
InChIInChI=1S/C9H10N2O2/c1-13-9-10-5-6-3-2-4-7(12)8(6)11-9/h5H,2-4H2,1H3
InChIKeyOGYRVWQMKQSCBH-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.00
Rot. Bonds1

About 2-methoxy-6,7-dihydro-5H-quinazolin-8-one

2-methoxy-6,7-dihydro-5H-quinazolin-8-one (PubChem CID 155777658) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methoxy-6,7-dihydro-5H-quinazolin-8-one.

Molecular Properties

Compound Name2-methoxy-6,7-dihydro-5H-quinazolin-8-one
PubChem CID155777658
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-methoxy-6,7-dihydro-5H-quinazolin-8-one
SMILESCOc1ncc2c(n1)C(=O)CCC2
InChIInChI=1S/C9H10N2O2/c1-13-9-10-5-6-3-2-4-7(12)8(6)11-9/h5H,2-4H2,1H3
InChIKeyOGYRVWQMKQSCBH-UHFFFAOYSA-N
XLogP1.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6,7-dihydro-5H-quinazolin-8-one?
The IUPAC name of 2-methoxy-6,7-dihydro-5H-quinazolin-8-one (CID 155777658) is 2-methoxy-6,7-dihydro-5H-quinazolin-8-one.
What is the SMILES notation for 2-methoxy-6,7-dihydro-5H-quinazolin-8-one?
The canonical SMILES for 2-methoxy-6,7-dihydro-5H-quinazolin-8-one is COc1ncc2c(n1)C(=O)CCC2.
What is the InChIKey of 2-methoxy-6,7-dihydro-5H-quinazolin-8-one?
The InChIKey is OGYRVWQMKQSCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-9-10-5-6-3-2-4-7(12)8(6)11-9/h5H,2-4H2,1H3.
What are the key properties of 2-methoxy-6,7-dihydro-5H-quinazolin-8-one?
2-methoxy-6,7-dihydro-5H-quinazolin-8-one has a molecular weight of 178.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,7-dihydro-5H-quinazolin-8-one is sourced from PubChem (CID 155777658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).