7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline

C20H28N4O4S — CID 155137804

IUPAC7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
SMILESCCC(CNS(N)(=O)=O)C1CCN(c2ccnc3cc(C=O)c(OC)cc23)CC1
InChIInChI=1S/C20H28N4O4S/c1-3-14(12-23-29(21,26)27)15-5-8-24(9-6-15)19-4-7-22-18-10-16(13-25)20(28-2)11-17(18)19/h4,7,10-11,13-15,23H,3,5-6,8-9,12H2,1-2H3,(H2,21,26,27)
InChIKeyXKECPBDNHHGRPJ-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.09
Rot. Bonds8

About 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline

7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline (PubChem CID 155137804) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
PubChem CID155137804
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
SMILESCCC(CNS(N)(=O)=O)C1CCN(c2ccnc3cc(C=O)c(OC)cc23)CC1
InChIInChI=1S/C20H28N4O4S/c1-3-14(12-23-29(21,26)27)15-5-8-24(9-6-15)19-4-7-22-18-10-16(13-25)20(28-2)11-17(18)19/h4,7,10-11,13-15,23H,3,5-6,8-9,12H2,1-2H3,(H2,21,26,27)
InChIKeyXKECPBDNHHGRPJ-UHFFFAOYSA-N
XLogP2.09
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline with MolForge

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Related Compounds

4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
CID 175192737
tert-butyl 2-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]butylsulfamoyl]acetate;2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]butan-1-amine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 158230289
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
CID 175689164
4-[4-[1-(2-cyclopropyl-2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline
CID 155618180
formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline
CID 155125408
S-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]amino]thiohydroxylamine
CID 155697816
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
CID 155618198
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446

Frequently Asked Questions

What is the IUPAC name of 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline?
The IUPAC name of 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline (CID 155137804) is 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline is CCC(CNS(N)(=O)=O)C1CCN(c2ccnc3cc(C=O)c(OC)cc23)CC1.
What is the InChIKey of 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline?
The InChIKey is XKECPBDNHHGRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-3-14(12-23-29(21,26)27)15-5-8-24(9-6-15)19-4-7-22-18-10-16(13-25)20(28-2)11-17(18)19/h4,7,10-11,13-15,23H,3,5-6,8-9,12H2,1-2H3,(H2,21,26,27).
What are the key properties of 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline?
7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline has a molecular weight of 420.54 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 155137804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).