[4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone

C29H26N4O4S — CID 171684708

IUPAC[4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)N3CCN(c4cccc5cc(S(=O)(=O)c6ccccc6)cnc45)CC3)c2c1
InChIInChI=1S/C29H26N4O4S/c1-37-21-10-11-26-24(17-21)25(19-30-26)29(34)33-14-12-32(13-15-33)27-9-5-6-20-16-23(18-31-28(20)27)38(35,36)22-7-3-2-4-8-22/h2-11,16-19,30H,12-15H2,1H3
InChIKeyREWOEYHZLCTQFE-UHFFFAOYSA-N
MW526.62 g/mol
LogP4.52
Rot. Bonds5

About [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone

[4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 171684708) has the molecular formula C29H26N4O4S and a molecular weight of 526.62 g/mol. Its IUPAC name is [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID171684708
Molecular FormulaC29H26N4O4S
Molecular Weight526.62 g/mol
Exact Mass526.17
IUPAC Name[4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)N3CCN(c4cccc5cc(S(=O)(=O)c6ccccc6)cnc45)CC3)c2c1
InChIInChI=1S/C29H26N4O4S/c1-37-21-10-11-26-24(17-21)25(19-30-26)29(34)33-14-12-32(13-15-33)27-9-5-6-20-16-23(18-31-28(20)27)38(35,36)22-7-3-2-4-8-22/h2-11,16-19,30H,12-15H2,1H3
InChIKeyREWOEYHZLCTQFE-UHFFFAOYSA-N
XLogP4.52
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.62
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone 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 [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone (CID 171684708) is [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)N3CCN(c4cccc5cc(S(=O)(=O)c6ccccc6)cnc45)CC3)c2c1.
What is the InChIKey of [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is REWOEYHZLCTQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4S/c1-37-21-10-11-26-24(17-21)25(19-30-26)29(34)33-14-12-32(13-15-33)27-9-5-6-20-16-23(18-31-28(20)27)38(35,36)22-7-3-2-4-8-22/h2-11,16-19,30H,12-15H2,1H3.
What are the key properties of [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
[4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 526.62 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 171684708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).