N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride

C25H31ClN4O3 — CID 44525835

IUPACN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1ccc2nccc(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1.Cl
InChIInChI=1S/C25H30N4O3.ClH/c1-30-20-2-3-22-21(15-20)23(5-9-27-22)29-10-6-18(7-11-29)4-8-26-16-19-14-24-25(17-28-19)32-13-12-31-24;/h2-3,5,9,14-15,17-18,26H,4,6-8,10-13,16H2,1H3;1H
InChIKeyGXFDHFBGOGSJOX-UHFFFAOYSA-N
MW471.00 g/mol
LogP4.23
Rot. Bonds7

About N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 44525835) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
PubChem CID44525835
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1ccc2nccc(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1.Cl
InChIInChI=1S/C25H30N4O3.ClH/c1-30-20-2-3-22-21(15-20)23(5-9-27-22)29-10-6-18(7-11-29)4-8-26-16-19-14-24-25(17-28-19)32-13-12-31-24;/h2-3,5,9,14-15,17-18,26H,4,6-8,10-13,16H2,1H3;1H
InChIKeyGXFDHFBGOGSJOX-UHFFFAOYSA-N
XLogP4.23
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride (CID 44525835) is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride is COc1ccc2nccc(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1.Cl.
What is the InChIKey of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is GXFDHFBGOGSJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.ClH/c1-30-20-2-3-22-21(15-20)23(5-9-27-22)29-10-6-18(7-11-29)4-8-26-16-19-14-24-25(17-28-19)32-13-12-31-24;/h2-3,5,9,14-15,17-18,26H,4,6-8,10-13,16H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 471.00 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 44525835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).