8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one

C25H30N4O3 — CID 24888620

About 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one

8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one (PubChem CID 24888620) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one.

Molecular Properties

• Compound Name: 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one
• PubChem CID: 24888620
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one
• SMILES: Cn1c(=O)ccc2cccc(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c21
• InChI: InChI=1S/C25H30N4O3/c1-28-24(30)6-5-18-3-2-4-19(25(18)28)7-10-29-11-8-20(9-12-29)26-16-21-15-22-23(17-27-21)32-14-13-31-22/h2-6,15,17,20,26H,7-14,16H2,1H3
• InChIKey: WEWROWTXNDBFSK-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one?

The IUPAC name of 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one (CID 24888620) is 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one.

What is the SMILES notation for 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one?

The canonical SMILES for 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one is Cn1c(=O)ccc2cccc(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c21.

What is the InChIKey of 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one?

The InChIKey is WEWROWTXNDBFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-28-24(30)6-5-18-3-2-4-19(25(18)28)7-10-29-11-8-20(9-12-29)26-16-21-15-22-23(17-27-21)32-14-13-31-22/h2-6,15,17,20,26H,7-14,16H2,1H3.

What are the key properties of 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one?

8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one is sourced from PubChem (CID 24888620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).