7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one

C23H26ClN5O3 — CID 56834576

About 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one

7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one (PubChem CID 56834576) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one
• PubChem CID: 56834576
• Molecular Formula: C23H26ClN5O3
• Molecular Weight: 455.95 g/mol
• Exact Mass: 455.17
• IUPAC Name: 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one
• SMILES: O=c1ccc2cnc(Cl)cc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
• InChI: InChI=1S/C23H26ClN5O3/c24-22-12-19-16(13-27-22)1-2-23(30)29(19)8-7-28-5-3-17(4-6-28)25-14-18-11-20-21(15-26-18)32-10-9-31-20/h1-2,11-13,15,17,25H,3-10,14H2
• InChIKey: MIJXODONQUFOSF-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.95
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one?

The IUPAC name of 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one (CID 56834576) is 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one.

What is the SMILES notation for 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one?

The canonical SMILES for 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one is O=c1ccc2cnc(Cl)cc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1.

What is the InChIKey of 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one?

The InChIKey is MIJXODONQUFOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c24-22-12-19-16(13-27-22)1-2-23(30)29(19)8-7-28-5-3-17(4-6-28)25-14-18-11-20-21(15-26-18)32-10-9-31-20/h1-2,11-13,15,17,25H,3-10,14H2.

What are the key properties of 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one?

7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one has a molecular weight of 455.95 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one is sourced from PubChem (CID 56834576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).