2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol

C26H32N4O4 — CID 58989684

IUPAC2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol
SMILESCOc1ccc2cccc(C(O)CN3CCCC(CNCc4cc5c(cn4)OCCO5)C3)c2n1
InChIInChI=1S/C26H32N4O4/c1-32-25-8-7-19-5-2-6-21(26(19)29-25)22(31)17-30-9-3-4-18(16-30)13-27-14-20-12-23-24(15-28-20)34-11-10-33-23/h2,5-8,12,15,18,22,27,31H,3-4,9-11,13-14,16-17H2,1H3
InChIKeyWMYZRIOHXJJCBE-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.94
Rot. Bonds8

About 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol

2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol (PubChem CID 58989684) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol.

Molecular Properties

Compound Name2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol
PubChem CID58989684
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol
SMILESCOc1ccc2cccc(C(O)CN3CCCC(CNCc4cc5c(cn4)OCCO5)C3)c2n1
InChIInChI=1S/C26H32N4O4/c1-32-25-8-7-19-5-2-6-21(26(19)29-25)22(31)17-30-9-3-4-18(16-30)13-27-14-20-12-23-24(15-28-20)34-11-10-33-23/h2,5-8,12,15,18,22,27,31H,3-4,9-11,13-14,16-17H2,1H3
InChIKeyWMYZRIOHXJJCBE-UHFFFAOYSA-N
XLogP2.94
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol?
The IUPAC name of 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol (CID 58989684) is 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol.
What is the SMILES notation for 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol?
The canonical SMILES for 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol is COc1ccc2cccc(C(O)CN3CCCC(CNCc4cc5c(cn4)OCCO5)C3)c2n1.
What is the InChIKey of 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol?
The InChIKey is WMYZRIOHXJJCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-32-25-8-7-19-5-2-6-21(26(19)29-25)22(31)17-30-9-3-4-18(16-30)13-27-14-20-12-23-24(15-28-20)34-11-10-33-23/h2,5-8,12,15,18,22,27,31H,3-4,9-11,13-14,16-17H2,1H3.
What are the key properties of 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol?
2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol has a molecular weight of 464.57 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol is sourced from PubChem (CID 58989684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).