[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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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).