3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one

C25H22N2O3S — CID 71462765

IUPAC3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one
SMILESCn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1cn(Cc3ccccc3)cc1-2
InChIInChI=1S/C25H22N2O3S/c1-26-24-19(14-23(25(26)28)31(29,30)21-10-6-3-7-11-21)12-13-20-16-27(17-22(20)24)15-18-8-4-2-5-9-18/h2-11,14,16-17H,12-13,15H2,1H3
InChIKeyQQDQDROYLPTZOA-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.83
Rot. Bonds4

About 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one

3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one (PubChem CID 71462765) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one
PubChem CID71462765
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one
SMILESCn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1cn(Cc3ccccc3)cc1-2
InChIInChI=1S/C25H22N2O3S/c1-26-24-19(14-23(25(26)28)31(29,30)21-10-6-3-7-11-21)12-13-20-16-27(17-22(20)24)15-18-8-4-2-5-9-18/h2-11,14,16-17H,12-13,15H2,1H3
InChIKeyQQDQDROYLPTZOA-UHFFFAOYSA-N
XLogP3.83
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one (CID 71462765) is 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one is Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1cn(Cc3ccccc3)cc1-2.
What is the InChIKey of 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one?
The InChIKey is QQDQDROYLPTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-26-24-19(14-23(25(26)28)31(29,30)21-10-6-3-7-11-21)12-13-20-16-27(17-22(20)24)15-18-8-4-2-5-9-18/h2-11,14,16-17H,12-13,15H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one?
3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one has a molecular weight of 430.53 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one is sourced from PubChem (CID 71462765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).