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

C9H10N2O2 — CID 66828831

IUPAC4-methoxy-6,7-dihydro-5H-quinazolin-8-one
SMILESCOc1ncnc2c1CCCC2=O
InChIInChI=1S/C9H10N2O2/c1-13-9-6-3-2-4-7(12)8(6)10-5-11-9/h5H,2-4H2,1H3
InChIKeyZUXXGHOLPLBGJE-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.00
Rot. Bonds1

About 4-methoxy-6,7-dihydro-5H-quinazolin-8-one

4-methoxy-6,7-dihydro-5H-quinazolin-8-one (PubChem CID 66828831) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methoxy-6,7-dihydro-5H-quinazolin-8-one.

Molecular Properties

Compound Name4-methoxy-6,7-dihydro-5H-quinazolin-8-one
PubChem CID66828831
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-methoxy-6,7-dihydro-5H-quinazolin-8-one
SMILESCOc1ncnc2c1CCCC2=O
InChIInChI=1S/C9H10N2O2/c1-13-9-6-3-2-4-7(12)8(6)10-5-11-9/h5H,2-4H2,1H3
InChIKeyZUXXGHOLPLBGJE-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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Related Compounds

4,6-Dimethoxy-7-methylquinazoline-5,8-dione
CID 85664292
1-(5-fluoro-6-methoxy-4-pyrimidinyl)Ethanone
CID 155320640
2-(3,3-Difluorocyclohexyl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 114224653
4-(Cyclohexanone-4-oxy)-5,6,7,8-tetrahydroquinazoline
CID 15279355
1-(5-Methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone
CID 19694222
6-(6-Methoxypyrimidine-4-carbonyl)-2,2-dimethylcyclohexan-1-one
CID 89990994
Cyclopropyl(6-methoxypyrimidin-4-yl)methanone
CID 91618935
2,4-Dimethoxy-5,6-dihydrocyclopenta[d]pyrimidin-7-one
CID 156555749
4-Methoxy-5,6,7,8-tetrahydroquinazoline
CID 12933874
1-(6-Methoxy-5-methylpyrimidin-4-yl)propan-2-one
CID 66327163
1-(6-Methoxy-5-methylpyrimidin-4-yl)butan-2-one
CID 66327366
3-(6-Methoxy-5-methylpyrimidin-4-yl)butan-2-one
CID 66327571

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,7-dihydro-5H-quinazolin-8-one?
The IUPAC name of 4-methoxy-6,7-dihydro-5H-quinazolin-8-one (CID 66828831) is 4-methoxy-6,7-dihydro-5H-quinazolin-8-one.
What is the SMILES notation for 4-methoxy-6,7-dihydro-5H-quinazolin-8-one?
The canonical SMILES for 4-methoxy-6,7-dihydro-5H-quinazolin-8-one is COc1ncnc2c1CCCC2=O.
What is the InChIKey of 4-methoxy-6,7-dihydro-5H-quinazolin-8-one?
The InChIKey is ZUXXGHOLPLBGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-9-6-3-2-4-7(12)8(6)10-5-11-9/h5H,2-4H2,1H3.
What are the key properties of 4-methoxy-6,7-dihydro-5H-quinazolin-8-one?
4-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 4-methoxy-6,7-dihydro-5H-quinazolin-8-one is sourced from PubChem (CID 66828831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).