4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid

C23H34N4O6S — CID 175192737

IUPAC4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
SMILESCOc1cc2nccc(N3CCC(C(C)CN(C4CC4)S(N)(=O)=O)CC3)c2cc1OC.O=CO
InChIInChI=1S/C22H32N4O4S.CH2O2/c1-15(14-26(17-4-5-17)31(23,27)28)16-7-10-25(11-8-16)20-6-9-24-19-13-22(30-3)21(29-2)12-18(19)20;2-1-3/h6,9,12-13,15-17H,4-5,7-8,10-11,14H2,1-3H3,(H2,23,27,28);1H,(H,2,3)
InChIKeyGXRSDEKOAULFSZ-UHFFFAOYSA-N
MW494.61 g/mol
LogP2.47
Rot. Bonds8

About 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid

4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid (PubChem CID 175192737) has the molecular formula C23H34N4O6S and a molecular weight of 494.61 g/mol. Its IUPAC name is 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid.

Molecular Properties

Compound Name4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
PubChem CID175192737
Molecular FormulaC23H34N4O6S
Molecular Weight494.61 g/mol
Exact Mass494.22
IUPAC Name4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
SMILESCOc1cc2nccc(N3CCC(C(C)CN(C4CC4)S(N)(=O)=O)CC3)c2cc1OC.O=CO
InChIInChI=1S/C22H32N4O4S.CH2O2/c1-15(14-26(17-4-5-17)31(23,27)28)16-7-10-25(11-8-16)20-6-9-24-19-13-22(30-3)21(29-2)12-18(19)20;2-1-3/h6,9,12-13,15-17H,4-5,7-8,10-11,14H2,1-3H3,(H2,23,27,28);1H,(H,2,3)
InChIKeyGXRSDEKOAULFSZ-UHFFFAOYSA-N
XLogP2.47
TPSA135.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

S-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]amino]thiohydroxylamine
CID 155697816
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
tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate
CID 175192711
formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline
CID 155125408
7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
CID 155137804
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
CID 155618198
tert-butyl N-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]sulfamoyl]carbamate;N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropanamine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;methane
CID 161290943
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid?
The IUPAC name of 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid (CID 175192737) is 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid.
What is the SMILES notation for 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid?
The canonical SMILES for 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid is COc1cc2nccc(N3CCC(C(C)CN(C4CC4)S(N)(=O)=O)CC3)c2cc1OC.O=CO.
What is the InChIKey of 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid?
The InChIKey is GXRSDEKOAULFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S.CH2O2/c1-15(14-26(17-4-5-17)31(23,27)28)16-7-10-25(11-8-16)20-6-9-24-19-13-22(30-3)21(29-2)12-18(19)20;2-1-3/h6,9,12-13,15-17H,4-5,7-8,10-11,14H2,1-3H3,(H2,23,27,28);1H,(H,2,3).
What are the key properties of 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid?
4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid has a molecular weight of 494.61 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid is sourced from PubChem (CID 175192737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).