1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine

C22H31N3O2 — CID 175689164

IUPAC1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
SMILESCOc1cc2nccc(N3CCC(C(C)CC4(N)CC4)CC3)c2cc1OC
InChIInChI=1S/C22H31N3O2/c1-15(14-22(23)7-8-22)16-5-10-25(11-6-16)19-4-9-24-18-13-21(27-3)20(26-2)12-17(18)19/h4,9,12-13,15-16H,5-8,10-11,14,23H2,1-3H3
InChIKeyLWQMCCBFNCICRE-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.99
Rot. Bonds6

About 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine

1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine (PubChem CID 175689164) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
PubChem CID175689164
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
SMILESCOc1cc2nccc(N3CCC(C(C)CC4(N)CC4)CC3)c2cc1OC
InChIInChI=1S/C22H31N3O2/c1-15(14-22(23)7-8-22)16-5-10-25(11-6-16)19-4-9-24-18-13-21(27-3)20(26-2)12-17(18)19/h4,9,12-13,15-16H,5-8,10-11,14,23H2,1-3H3
InChIKeyLWQMCCBFNCICRE-UHFFFAOYSA-N
XLogP3.99
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]amino]thiohydroxylamine
CID 155697816
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
CID 175192737
4-[4-[1-(2-cyclopropyl-2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline
CID 155618180
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
S-[[1-[1-[6-(fluoromethoxy)-7-methoxyquinolin-4-yl]piperidin-4-yl]cyclopropyl]methylamino]thiohydroxylamine
CID 155697828
formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline
CID 155125408
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
CID 155137804
tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
CID 155618198

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine (CID 175689164) is 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine is COc1cc2nccc(N3CCC(C(C)CC4(N)CC4)CC3)c2cc1OC.
What is the InChIKey of 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine?
The InChIKey is LWQMCCBFNCICRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(14-22(23)7-8-22)16-5-10-25(11-6-16)19-4-9-24-18-13-21(27-3)20(26-2)12-17(18)19/h4,9,12-13,15-16H,5-8,10-11,14,23H2,1-3H3.
What are the key properties of 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine?
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine has a molecular weight of 369.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine is sourced from PubChem (CID 175689164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).