1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride

C24H30BrCl2N5O4 — CID 10031539

About 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride

1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride (PubChem CID 10031539) has the molecular formula C24H30BrCl2N5O4 and a molecular weight of 603.35 g/mol. Its IUPAC name is 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride.

Molecular Properties

• Compound Name: 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride
• PubChem CID: 10031539
• Molecular Formula: C24H30BrCl2N5O4
• Molecular Weight: 603.35 g/mol
• Exact Mass: 601.09
• IUPAC Name: 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride
• SMILES: COc1ccc2ncc(Br)c(C(O)CN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl.Cl
• InChI: InChI=1S/C24H28BrN5O4.2ClH/c1-32-22-3-2-18-24(29-22)23(17(25)12-28-18)19(31)14-30-6-4-15(5-7-30)26-11-16-10-20-21(13-27-16)34-9-8-33-20;;/h2-3,10,12-13,15,19,26,31H,4-9,11,14H2,1H3;2*1H
• InChIKey: UGEOFVDYDZBXQM-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 101.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.35
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride?

The IUPAC name of 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride (CID 10031539) is 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride.

What is the SMILES notation for 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride?

The canonical SMILES for 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride is COc1ccc2ncc(Br)c(C(O)CN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl.Cl.

What is the InChIKey of 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride?

The InChIKey is UGEOFVDYDZBXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN5O4.2ClH/c1-32-22-3-2-18-24(29-22)23(17(25)12-28-18)19(31)14-30-6-4-15(5-7-30)26-11-16-10-20-21(13-27-16)34-9-8-33-20;;/h2-3,10,12-13,15,19,26,31H,4-9,11,14H2,1H3;2*1H.

What are the key properties of 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride?

1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride has a molecular weight of 603.35 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 10031539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).