3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one

C21H20N4O3S — CID 5329381

IUPAC3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N3CCNCC3)ccc2[nH]1
InChIInChI=1S/C21H20N4O3S/c26-21-17(12-14-3-1-2-4-18(14)24-21)20-13-15-11-16(5-6-19(15)23-20)29(27,28)25-9-7-22-8-10-25/h1-6,11-13,22-23H,7-10H2,(H,24,26)
InChIKeyHQUDWRKDNVDREX-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.27
Rot. Bonds3

About 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one

3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one (PubChem CID 5329381) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
PubChem CID5329381
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N3CCNCC3)ccc2[nH]1
InChIInChI=1S/C21H20N4O3S/c26-21-17(12-14-3-1-2-4-18(14)24-21)20-13-15-11-16(5-6-19(15)23-20)29(27,28)25-9-7-22-8-10-25/h1-6,11-13,22-23H,7-10H2,(H,24,26)
InChIKeyHQUDWRKDNVDREX-UHFFFAOYSA-N
XLogP2.27
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one (CID 5329381) is 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N3CCNCC3)ccc2[nH]1.
What is the InChIKey of 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one?
The InChIKey is HQUDWRKDNVDREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c26-21-17(12-14-3-1-2-4-18(14)24-21)20-13-15-11-16(5-6-19(15)23-20)29(27,28)25-9-7-22-8-10-25/h1-6,11-13,22-23H,7-10H2,(H,24,26).
What are the key properties of 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one?
3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one has a molecular weight of 408.48 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperazin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 5329381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).