1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline

C22H22N4O2S — CID 90469319

IUPAC1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2S/c1-24-13-15-25(16-14-24)22-19-11-12-26(29(27,28)17-7-3-2-4-8-17)21(19)18-9-5-6-10-20(18)23-22/h2-12H,13-16H2,1H3
InChIKeyOOJVEAJNWMLNRT-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.18
Rot. Bonds3

About 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline

1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline (PubChem CID 90469319) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
PubChem CID90469319
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2S/c1-24-13-15-25(16-14-24)22-19-11-12-26(29(27,28)17-7-3-2-4-8-17)21(19)18-9-5-6-10-20(18)23-22/h2-12H,13-16H2,1H3
InChIKeyOOJVEAJNWMLNRT-UHFFFAOYSA-N
XLogP3.18
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline (CID 90469319) is 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline is CN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline?
The InChIKey is OOJVEAJNWMLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-24-13-15-25(16-14-24)22-19-11-12-26(29(27,28)17-7-3-2-4-8-17)21(19)18-9-5-6-10-20(18)23-22/h2-12H,13-16H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline?
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline has a molecular weight of 406.51 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).