7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one

C20H15NO3S — CID 134951815

IUPAC7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one
SMILESCc1ccc(S(=O)(=O)c2c(=O)n3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H15NO3S/c1-14-9-11-15(12-10-14)25(23,24)19-17-7-3-2-6-16(17)18-8-4-5-13-21(18)20(19)22/h2-13H,1H3
InChIKeyHGYUVUKOHDUNKJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.59
Rot. Bonds2

About 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one

7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one (PubChem CID 134951815) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one.

Molecular Properties

Compound Name7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one
PubChem CID134951815
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one
SMILESCc1ccc(S(=O)(=O)c2c(=O)n3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H15NO3S/c1-14-9-11-15(12-10-14)25(23,24)19-17-7-3-2-6-16(17)18-8-4-5-13-21(18)20(19)22/h2-13H,1H3
InChIKeyHGYUVUKOHDUNKJ-UHFFFAOYSA-N
XLogP3.59
TPSA55.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one?
The IUPAC name of 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one (CID 134951815) is 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one.
What is the SMILES notation for 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one?
The canonical SMILES for 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one is Cc1ccc(S(=O)(=O)c2c(=O)n3ccccc3c3ccccc23)cc1.
What is the InChIKey of 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one?
The InChIKey is HGYUVUKOHDUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-14-9-11-15(12-10-14)25(23,24)19-17-7-3-2-6-16(17)18-8-4-5-13-21(18)20(19)22/h2-13H,1H3.
What are the key properties of 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one?
7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one has a molecular weight of 349.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)sulfonylbenzo[a]quinolizin-6-one is sourced from PubChem (CID 134951815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).