formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline

C21H31N4O7S- — CID 155125408

IUPACformic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline
SMILESCOc1cc2nccc(N3CCC(C(C)CNNS(=O)[O-])CC3)c2cc1OCCO.O=CO
InChIInChI=1S/C20H30N4O5S.CH2O2/c1-14(13-22-23-30(26)27)15-4-7-24(8-5-15)18-3-6-21-17-12-19(28-2)20(11-16(17)18)29-10-9-25;2-1-3/h3,6,11-12,14-15,22-23,25H,4-5,7-10,13H2,1-2H3,(H,26,27);1H,(H,2,3)/p-1
InChIKeyJHBBKWLBMAXXHS-UHFFFAOYSA-M
MW483.57 g/mol
LogP1.06
Rot. Bonds10

About formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline

formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline (PubChem CID 155125408) has the molecular formula C21H31N4O7S- and a molecular weight of 483.57 g/mol. Its IUPAC name is formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Nameformic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline
PubChem CID155125408
Molecular FormulaC21H31N4O7S-
Molecular Weight483.57 g/mol
Exact Mass483.19
IUPAC Nameformic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline
SMILESCOc1cc2nccc(N3CCC(C(C)CNNS(=O)[O-])CC3)c2cc1OCCO.O=CO
InChIInChI=1S/C20H30N4O5S.CH2O2/c1-14(13-22-23-30(26)27)15-4-7-24(8-5-15)18-3-6-21-17-12-19(28-2)20(11-16(17)18)29-10-9-25;2-1-3/h3,6,11-12,14-15,22-23,25H,4-5,7-10,13H2,1-2H3,(H,26,27);1H,(H,2,3)/p-1
InChIKeyJHBBKWLBMAXXHS-UHFFFAOYSA-M
XLogP1.06
TPSA156.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

4-[4-[1-(2-cyclopropyl-2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline
CID 155618180
4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
CID 175192737
tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
CID 155618198
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
CID 175689164
S-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]amino]thiohydroxylamine
CID 155697816
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
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
4-[4-[1-[carbamoyl-(sulfinatoamino)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinazoline
CID 175190160
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344

Frequently Asked Questions

What is the IUPAC name of formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline?
The IUPAC name of formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline (CID 155125408) is formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline?
The canonical SMILES for formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline is COc1cc2nccc(N3CCC(C(C)CNNS(=O)[O-])CC3)c2cc1OCCO.O=CO.
What is the InChIKey of formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline?
The InChIKey is JHBBKWLBMAXXHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H30N4O5S.CH2O2/c1-14(13-22-23-30(26)27)15-4-7-24(8-5-15)18-3-6-21-17-12-19(28-2)20(11-16(17)18)29-10-9-25;2-1-3/h3,6,11-12,14-15,22-23,25H,4-5,7-10,13H2,1-2H3,(H,26,27);1H,(H,2,3)/p-1.
What are the key properties of formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline?
formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline has a molecular weight of 483.57 g/mol, XLogP of 1.06, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 155125408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).