[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine

C20H27N3O2 — CID 155125344

IUPAC[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
SMILESCOc1cc2nccc(N3CCC(C4(CN)CC4)CC3)c2cc1OC
InChIInChI=1S/C20H27N3O2/c1-24-18-11-15-16(12-19(18)25-2)22-8-3-17(15)23-9-4-14(5-10-23)20(13-21)6-7-20/h3,8,11-12,14H,4-7,9-10,13,21H2,1-2H3
InChIKeyJVZGPUWRNYWTAX-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.21
Rot. Bonds5

About [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine

[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine (PubChem CID 155125344) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
PubChem CID155125344
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
SMILESCOc1cc2nccc(N3CCC(C4(CN)CC4)CC3)c2cc1OC
InChIInChI=1S/C20H27N3O2/c1-24-18-11-15-16(12-19(18)25-2)22-8-3-17(15)23-9-4-14(5-10-23)20(13-21)6-7-20/h3,8,11-12,14H,4-7,9-10,13,21H2,1-2H3
InChIKeyJVZGPUWRNYWTAX-UHFFFAOYSA-N
XLogP3.21
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-[[1-[1-[6-(fluoromethoxy)-7-methoxyquinolin-4-yl]piperidin-4-yl]cyclopropyl]methylamino]thiohydroxylamine
CID 155697828
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
CID 175689164
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
S-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]amino]thiohydroxylamine
CID 155697816
4-(6,7-dimethoxyquinolin-4-yl)-1,4-diazepane-1-carboxamide
CID 167970486
N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide
CID 155618197
4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
CID 175192737
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
4-[4-[1-(2-cyclopropyl-2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline
CID 155618180
N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
CID 162190437

Frequently Asked Questions

What is the IUPAC name of [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine (CID 155125344) is [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine is COc1cc2nccc(N3CCC(C4(CN)CC4)CC3)c2cc1OC.
What is the InChIKey of [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine?
The InChIKey is JVZGPUWRNYWTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-24-18-11-15-16(12-19(18)25-2)22-8-3-17(15)23-9-4-14(5-10-23)20(13-21)6-7-20/h3,8,11-12,14H,4-7,9-10,13,21H2,1-2H3.
What are the key properties of [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine?
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine has a molecular weight of 341.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine is sourced from PubChem (CID 155125344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).