1-methylquinazolin-4-one

C9H8N2O — CID 18992

IUPAC1-methylquinazolin-4-one
SMILESCn1cnc(=O)c2ccccc21
InChIInChI=1S/C9H8N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeyQAXCWBIVFCEYGG-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.93
Rot. Bonds

About 1-methylquinazolin-4-one

1-methylquinazolin-4-one (PubChem CID 18992) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-methylquinazolin-4-one.

Molecular Properties

Compound Name1-methylquinazolin-4-one
PubChem CID18992
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-methylquinazolin-4-one
SMILESCn1cnc(=O)c2ccccc21
InChIInChI=1S/C9H8N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeyQAXCWBIVFCEYGG-UHFFFAOYSA-N
XLogP0.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methaqualone
CID 6292
4(1H)-Quinazolinone
CID 135408753
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
Proquinazid
CID 11057771
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
Deoxyvasicinone
CID 68261
2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
1-Methyl-4-quinolone
CID 6748

Frequently Asked Questions

What is the IUPAC name of 1-methylquinazolin-4-one?
The IUPAC name of 1-methylquinazolin-4-one (CID 18992) is 1-methylquinazolin-4-one.
What is the SMILES notation for 1-methylquinazolin-4-one?
The canonical SMILES for 1-methylquinazolin-4-one is Cn1cnc(=O)c2ccccc21.
What is the InChIKey of 1-methylquinazolin-4-one?
The InChIKey is QAXCWBIVFCEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6H,1H3.
What are the key properties of 1-methylquinazolin-4-one?
1-methylquinazolin-4-one has a molecular weight of 160.18 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinazolin-4-one is sourced from PubChem (CID 18992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).