6-methyl-4a,5-dihydro-3H-quinazolin-4-one

C9H10N2O — CID 137158643

IUPAC6-methyl-4a,5-dihydro-3H-quinazolin-4-one
SMILESCC1=CC=C2N=CNC(=O)C2C1
InChIInChI=1S/C9H10N2O/c1-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-3,5,7H,4H2,1H3,(H,10,11,12)
InChIKeyLBUBHITVPIJZER-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.99
Rot. Bonds

About 6-methyl-4a,5-dihydro-3H-quinazolin-4-one

6-methyl-4a,5-dihydro-3H-quinazolin-4-one (PubChem CID 137158643) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-methyl-4a,5-dihydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-4a,5-dihydro-3H-quinazolin-4-one
PubChem CID137158643
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-methyl-4a,5-dihydro-3H-quinazolin-4-one
SMILESCC1=CC=C2N=CNC(=O)C2C1
InChIInChI=1S/C9H10N2O/c1-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-3,5,7H,4H2,1H3,(H,10,11,12)
InChIKeyLBUBHITVPIJZER-UHFFFAOYSA-N
XLogP0.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-1,6-dihydro-1,3,5-triazepin-7-one
CID 154293252
N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
CID 137428301
bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole
CID 144866527
2-fluoro-4-methyl-2,3-dihydropyridine
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4-methyl-2-oxo-3H-pyridine-3-carboxylic acid
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3,3,6-trimethyl-1,2,7,7a-tetrahydroindole
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4a,5-dihydro-3H-quinazolin-4-one?
The IUPAC name of 6-methyl-4a,5-dihydro-3H-quinazolin-4-one (CID 137158643) is 6-methyl-4a,5-dihydro-3H-quinazolin-4-one.
What is the SMILES notation for 6-methyl-4a,5-dihydro-3H-quinazolin-4-one?
The canonical SMILES for 6-methyl-4a,5-dihydro-3H-quinazolin-4-one is CC1=CC=C2N=CNC(=O)C2C1.
What is the InChIKey of 6-methyl-4a,5-dihydro-3H-quinazolin-4-one?
The InChIKey is LBUBHITVPIJZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-3,5,7H,4H2,1H3,(H,10,11,12).
What are the key properties of 6-methyl-4a,5-dihydro-3H-quinazolin-4-one?
6-methyl-4a,5-dihydro-3H-quinazolin-4-one has a molecular weight of 162.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4a,5-dihydro-3H-quinazolin-4-one is sourced from PubChem (CID 137158643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).