[1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate

C26H30ClN5O7 — CID 140548270

About [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate

[1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate (PubChem CID 140548270) has the molecular formula C26H30ClN5O7 and a molecular weight of 560.01 g/mol. Its IUPAC name is [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate.

Molecular Properties

• Compound Name: [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate
• PubChem CID: 140548270
• Molecular Formula: C26H30ClN5O7
• Molecular Weight: 560.01 g/mol
• Exact Mass: 559.18
• IUPAC Name: [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate
• SMILES: COc1cnc2ccc(Cl)c(OCC(O)CN3CCC(OC(=O)NCc4cc5c(cn4)OCCO5)CC3)c2n1
• InChI: InChI=1S/C26H30ClN5O7/c1-35-23-13-29-20-3-2-19(27)25(24(20)31-23)38-15-17(33)14-32-6-4-18(5-7-32)39-26(34)30-11-16-10-21-22(12-28-16)37-9-8-36-21/h2-3,10,12-13,17-18,33H,4-9,11,14-15H2,1H3,(H,30,34)
• InChIKey: JBFFEIUUQGYGLG-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 137.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.01
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate?

The IUPAC name of [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate (CID 140548270) is [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate.

What is the SMILES notation for [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate?

The canonical SMILES for [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate is COc1cnc2ccc(Cl)c(OCC(O)CN3CCC(OC(=O)NCc4cc5c(cn4)OCCO5)CC3)c2n1.

What is the InChIKey of [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate?

The InChIKey is JBFFEIUUQGYGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O7/c1-35-23-13-29-20-3-2-19(27)25(24(20)31-23)38-15-17(33)14-32-6-4-18(5-7-32)39-26(34)30-11-16-10-21-22(12-28-16)37-9-8-36-21/h2-3,10,12-13,17-18,33H,4-9,11,14-15H2,1H3,(H,30,34).

What are the key properties of [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate?

[1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate has a molecular weight of 560.01 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate is sourced from PubChem (CID 140548270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).