2,3-dimethylbenzo[g]quinazolin-4-one

C14H12N2O — CID 95562416

IUPAC2,3-dimethylbenzo[g]quinazolin-4-one
SMILESCc1nc2cc3ccccc3cc2c(=O)n1C
InChIInChI=1S/C14H12N2O/c1-9-15-13-8-11-6-4-3-5-10(11)7-12(13)14(17)16(9)2/h3-8H,1-2H3
InChIKeyLGOCQQTXUSXSLL-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.40
Rot. Bonds

About 2,3-dimethylbenzo[g]quinazolin-4-one

2,3-dimethylbenzo[g]quinazolin-4-one (PubChem CID 95562416) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,3-dimethylbenzo[g]quinazolin-4-one.

Molecular Properties

Compound Name2,3-dimethylbenzo[g]quinazolin-4-one
PubChem CID95562416
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2,3-dimethylbenzo[g]quinazolin-4-one
SMILESCc1nc2cc3ccccc3cc2c(=O)n1C
InChIInChI=1S/C14H12N2O/c1-9-15-13-8-11-6-4-3-5-10(11)7-12(13)14(17)16(9)2/h3-8H,1-2H3
InChIKeyLGOCQQTXUSXSLL-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
6-(N,N-dimethylamino)-2-(naphthalene-1-yl)-4-quinazolinone
CID 135659022
Bmh-21
CID 3508054
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595
2-[2-(1-naphthyl)vinyl]-4(3H)-quinazolinone
CID 135405777
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
4(3H)-Quinazolinone, 2-methyl-3-(2,3-xylyl)-
CID 63118
Centazolone
CID 72846
2,3-Dimethyl-4(3H)-quinazolinone
CID 64018
4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide
CID 71811260
3-ethyl-2-[2-(2-methylphenyl)vinyl]-4(3H)-quinazolinone
CID 6241452
3-Methyl-2-o-tolyl-3H-quinazolin-4-one
CID 263099

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzo[g]quinazolin-4-one?
The IUPAC name of 2,3-dimethylbenzo[g]quinazolin-4-one (CID 95562416) is 2,3-dimethylbenzo[g]quinazolin-4-one.
What is the SMILES notation for 2,3-dimethylbenzo[g]quinazolin-4-one?
The canonical SMILES for 2,3-dimethylbenzo[g]quinazolin-4-one is Cc1nc2cc3ccccc3cc2c(=O)n1C.
What is the InChIKey of 2,3-dimethylbenzo[g]quinazolin-4-one?
The InChIKey is LGOCQQTXUSXSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-15-13-8-11-6-4-3-5-10(11)7-12(13)14(17)16(9)2/h3-8H,1-2H3.
What are the key properties of 2,3-dimethylbenzo[g]quinazolin-4-one?
2,3-dimethylbenzo[g]quinazolin-4-one has a molecular weight of 224.26 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzo[g]quinazolin-4-one is sourced from PubChem (CID 95562416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).