4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol

C25H23N5O3S — CID 136630390

IUPAC4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol
SMILESCN1CCN(c2nc3cccc(O)c3c3c2ccn3S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C25H23N5O3S/c1-28-13-15-29(16-14-28)25-18-10-12-30(24(18)22-19(27-25)7-3-8-20(22)31)34(32,33)21-9-2-5-17-6-4-11-26-23(17)21/h2-12,31H,13-16H2,1H3
InChIKeyZEEMJFSYYWPXAB-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.43
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol

4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol (PubChem CID 136630390) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol
PubChem CID136630390
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol
SMILESCN1CCN(c2nc3cccc(O)c3c3c2ccn3S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C25H23N5O3S/c1-28-13-15-29(16-14-28)25-18-10-12-30(24(18)22-19(27-25)7-3-8-20(22)31)34(32,33)21-9-2-5-17-6-4-11-26-23(17)21/h2-12,31H,13-16H2,1H3
InChIKeyZEEMJFSYYWPXAB-UHFFFAOYSA-N
XLogP3.43
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol (CID 136630390) is 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol is CN1CCN(c2nc3cccc(O)c3c3c2ccn3S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol?
The InChIKey is ZEEMJFSYYWPXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-28-13-15-29(16-14-28)25-18-10-12-30(24(18)22-19(27-25)7-3-8-20(22)31)34(32,33)21-9-2-5-17-6-4-11-26-23(17)21/h2-12,31H,13-16H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol?
4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol has a molecular weight of 473.56 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-1-quinolin-8-ylsulfonylpyrrolo[3,2-c]quinolin-9-ol is sourced from PubChem (CID 136630390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).