3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one

C20H16N2O2 — CID 44725647

IUPAC3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
SMILESCOc1ccc(-n2c(C)nc3cc4ccccc4cc3c2=O)cc1
InChIInChI=1S/C20H16N2O2/c1-13-21-19-12-15-6-4-3-5-14(15)11-18(19)20(23)22(13)16-7-9-17(24-2)10-8-16/h3-12H,1-2H3
InChIKeyQOBXWCIKFVIICL-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.86
Rot. Bonds2

About 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one

3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one (PubChem CID 44725647) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
PubChem CID44725647
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
SMILESCOc1ccc(-n2c(C)nc3cc4ccccc4cc3c2=O)cc1
InChIInChI=1S/C20H16N2O2/c1-13-21-19-12-15-6-4-3-5-14(15)11-18(19)20(23)22(13)16-7-9-17(24-2)10-8-16/h3-12H,1-2H3
InChIKeyQOBXWCIKFVIICL-UHFFFAOYSA-N
XLogP3.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 808669
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide
CID 30867464
2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
CID 42507232
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide
CID 30867596
4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid
CID 42581400
2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one
CID 171649499
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one (CID 44725647) is 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one is COc1ccc(-n2c(C)nc3cc4ccccc4cc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one?
The InChIKey is QOBXWCIKFVIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-21-19-12-15-6-4-3-5-14(15)11-18(19)20(23)22(13)16-7-9-17(24-2)10-8-16/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one?
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one has a molecular weight of 316.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one is sourced from PubChem (CID 44725647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).