2-methyl-3,4a-dihydro-2H-quinazolin-4-one

C9H10N2O — CID 143167493

IUPAC2-methyl-3,4a-dihydro-2H-quinazolin-4-one
SMILESCC1N=C2C=CC=CC2C(=O)N1
InChIInChI=1S/C9H10N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-7H,1H3,(H,11,12)
InChIKeyPPAHVVOBBDDQBM-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.65
Rot. Bonds

About 2-methyl-3,4a-dihydro-2H-quinazolin-4-one

2-methyl-3,4a-dihydro-2H-quinazolin-4-one (PubChem CID 143167493) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-methyl-3,4a-dihydro-2H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3,4a-dihydro-2H-quinazolin-4-one
PubChem CID143167493
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-methyl-3,4a-dihydro-2H-quinazolin-4-one
SMILESCC1N=C2C=CC=CC2C(=O)N1
InChIInChI=1S/C9H10N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-7H,1H3,(H,11,12)
InChIKeyPPAHVVOBBDDQBM-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-ethyl-2-oxo-2,3-dihydro-4(1H)-quinazolinyliden]-2-methylpropanamide
CID 4341450
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 74648513
ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
CID 143189390
4aH-quinazoline-2,4-dione
CID 172828202
6-imino-N-methylcyclohexa-2,4-diene-1-carboxamide
CID 174461192
2-methyl-6-(methylaminomethyl)-3,6-dihydro-2H-quinazolin-4-one
CID 174776704
N-[3-ethyl-2-oxo-2,3-dihydro-4(1H)-quinazolinyliden]butanamide
CID 3803291
(2S,4aR)-2,6-diamino-3,4a-dihydro-2H-quinazolin-4-one
CID 17753960
2-Methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one
CID 23823107
3-ethyl-2-sulfanylidene-4aH-quinazolin-4-one
CID 24869763
3-(2-methylpropyl)-2-sulfanylidene-4aH-quinazolin-4-one
CID 24869817
2-(ethylaminomethyl)-4aH-quinazolin-4-one
CID 71628084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4a-dihydro-2H-quinazolin-4-one?
The IUPAC name of 2-methyl-3,4a-dihydro-2H-quinazolin-4-one (CID 143167493) is 2-methyl-3,4a-dihydro-2H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-3,4a-dihydro-2H-quinazolin-4-one?
The canonical SMILES for 2-methyl-3,4a-dihydro-2H-quinazolin-4-one is CC1N=C2C=CC=CC2C(=O)N1.
What is the InChIKey of 2-methyl-3,4a-dihydro-2H-quinazolin-4-one?
The InChIKey is PPAHVVOBBDDQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-7H,1H3,(H,11,12).
What are the key properties of 2-methyl-3,4a-dihydro-2H-quinazolin-4-one?
2-methyl-3,4a-dihydro-2H-quinazolin-4-one has a molecular weight of 162.19 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4a-dihydro-2H-quinazolin-4-one is sourced from PubChem (CID 143167493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).