1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride

C26H31Cl3N4O4 — CID 10348005

About 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride

1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride (PubChem CID 10348005) has the molecular formula C26H31Cl3N4O4 and a molecular weight of 569.92 g/mol. Its IUPAC name is 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

• Compound Name: 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride
• PubChem CID: 10348005
• Molecular Formula: C26H31Cl3N4O4
• Molecular Weight: 569.92 g/mol
• Exact Mass: 568.14
• IUPAC Name: 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride
• SMILES: Cl.Cl.Clc1cnc2ccc3c(c2c1CCN1CCC(NCc2cc4c(cn2)OCCO4)CC1)OCCO3
• InChI: InChI=1S/C26H29ClN4O4.2ClH/c27-20-15-30-21-1-2-22-26(35-12-11-32-22)25(21)19(20)5-8-31-6-3-17(4-7-31)28-14-18-13-23-24(16-29-18)34-10-9-33-23;;/h1-2,13,15-17,28H,3-12,14H2;2*1H
• InChIKey: DJJGTWWQJUDPSP-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 77.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.92
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride?

The IUPAC name of 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride (CID 10348005) is 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride.

What is the SMILES notation for 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride?

The canonical SMILES for 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride is Cl.Cl.Clc1cnc2ccc3c(c2c1CCN1CCC(NCc2cc4c(cn2)OCCO4)CC1)OCCO3.

What is the InChIKey of 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride?

The InChIKey is DJJGTWWQJUDPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4.2ClH/c27-20-15-30-21-1-2-22-26(35-12-11-32-22)25(21)19(20)5-8-31-6-3-17(4-7-31)28-14-18-13-23-24(16-29-18)34-10-9-33-23;;/h1-2,13,15-17,28H,3-12,14H2;2*1H.

What are the key properties of 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride?

1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 569.92 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 10348005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).