1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride

C23H27ClFN5O3 — CID 67539702

About 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride

1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride (PubChem CID 67539702) has the molecular formula C23H27ClFN5O3 and a molecular weight of 475.95 g/mol. Its IUPAC name is 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
• PubChem CID: 67539702
• Molecular Formula: C23H27ClFN5O3
• Molecular Weight: 475.95 g/mol
• Exact Mass: 475.18
• IUPAC Name: 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
• SMILES: CN(c1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1.Cl
• InChI: InChI=1S/C23H26FN5O3.ClH/c1-27(22-13-20-21(14-26-22)32-11-10-31-20)17-4-6-28(7-5-17)8-9-29-19-12-16(24)2-3-18(19)25-15-23(29)30;/h2-3,12-15,17H,4-11H2,1H3;1H
• InChIKey: SPKLGSBRBGIJGV-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 72.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.95
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride?

The IUPAC name of 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride (CID 67539702) is 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride.

What is the SMILES notation for 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride?

The canonical SMILES for 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride is CN(c1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(F)cc32)CC1.Cl.

What is the InChIKey of 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride?

The InChIKey is SPKLGSBRBGIJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3.ClH/c1-27(22-13-20-21(14-26-22)32-11-10-31-20)17-4-6-28(7-5-17)8-9-29-19-12-16(24)2-3-18(19)25-15-23(29)30;/h2-3,12-15,17H,4-11H2,1H3;1H.

What are the key properties of 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride?

1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride has a molecular weight of 475.95 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride is sourced from PubChem (CID 67539702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).