2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline

C20H21N3O3S — CID 155914490

IUPAC2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline
SMILESCOc1nc2ccccc2cc1-c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-20-18(14-16-4-2-3-5-19(16)22-20)15-6-8-17(9-7-15)27(24,25)23-12-10-21-11-13-23/h2-9,14,21H,10-13H2,1H3
InChIKeyLPXUVSYCTJFUPN-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.50
Rot. Bonds4

About 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline

2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline (PubChem CID 155914490) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline.

Molecular Properties

Compound Name2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline
PubChem CID155914490
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline
SMILESCOc1nc2ccccc2cc1-c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-20-18(14-16-4-2-3-5-19(16)22-20)15-6-8-17(9-7-15)27(24,25)23-12-10-21-11-13-23/h2-9,14,21H,10-13H2,1H3
InChIKeyLPXUVSYCTJFUPN-UHFFFAOYSA-N
XLogP2.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine
CID 91400666
2-(4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione
CID 2060118
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963371
2-methyl-5-piperazin-1-ylsulfonyl-1,3-benzothiazole
CID 46180600
2-(1,4-diazepan-1-ylsulfonyl)phenanthridine
CID 19826040
3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole
CID 167890240
1-anthracen-9-ylsulfonylpiperazine
CID 4738870
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
2-(2,5-dimethoxy-4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione
CID 4738898
3-(1H-indol-2-yl)-2-methoxyquinoline
CID 86101824

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline?
The IUPAC name of 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline (CID 155914490) is 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline.
What is the SMILES notation for 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline?
The canonical SMILES for 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline is COc1nc2ccccc2cc1-c1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline?
The InChIKey is LPXUVSYCTJFUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-20-18(14-16-4-2-3-5-19(16)22-20)15-6-8-17(9-7-15)27(24,25)23-12-10-21-11-13-23/h2-9,14,21H,10-13H2,1H3.
What are the key properties of 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline?
2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline has a molecular weight of 383.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline is sourced from PubChem (CID 155914490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).