6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione

C23H22ClN5O4S — CID 5301727

IUPAC6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)ccc21
InChIInChI=1S/C23H22ClN5O4S/c1-26-20-6-4-16(14-21(20)27(2)23(31)22(26)30)34(32,33)29-11-9-28(10-12-29)19-7-8-25-18-13-15(24)3-5-17(18)19/h3-8,13-14H,9-12H2,1-2H3
InChIKeySLFCXUMWZCYUJY-UHFFFAOYSA-N
MW499.98 g/mol
LogP1.95
Rot. Bonds3

About 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione

6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione (PubChem CID 5301727) has the molecular formula C23H22ClN5O4S and a molecular weight of 499.98 g/mol. Its IUPAC name is 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione
PubChem CID5301727
Molecular FormulaC23H22ClN5O4S
Molecular Weight499.98 g/mol
Exact Mass499.11
IUPAC Name6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)ccc21
InChIInChI=1S/C23H22ClN5O4S/c1-26-20-6-4-16(14-21(20)27(2)23(31)22(26)30)34(32,33)29-11-9-28(10-12-29)19-7-8-25-18-13-15(24)3-5-17(18)19/h3-8,13-14H,9-12H2,1-2H3
InChIKeySLFCXUMWZCYUJY-UHFFFAOYSA-N
XLogP1.95
TPSA97.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline
CID 2823722
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984
5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 60503012
3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-3-methyl-2H-thiophene-2-carboxylic acid
CID 135236096
4-(7-chloroquinolin-4-yl)piperazin-2-one
CID 39847442
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 26452830

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione?
The IUPAC name of 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione (CID 5301727) is 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione.
What is the SMILES notation for 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione?
The canonical SMILES for 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione is Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)ccc21.
What is the InChIKey of 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione?
The InChIKey is SLFCXUMWZCYUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O4S/c1-26-20-6-4-16(14-21(20)27(2)23(31)22(26)30)34(32,33)29-11-9-28(10-12-29)19-7-8-25-18-13-15(24)3-5-17(18)19/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione?
6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione has a molecular weight of 499.98 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione is sourced from PubChem (CID 5301727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).