2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone

C103H142N12O10 — CID 159105831

About 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone

2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 159105831) has the molecular formula C103H142N12O10 and a molecular weight of 1708.34 g/mol. Its IUPAC name is 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone
• PubChem CID: 159105831
• Molecular Formula: C103H142N12O10
• Molecular Weight: 1708.34 g/mol
• Exact Mass: 1707.10
• IUPAC Name: 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone
• SMILES: COc1cc2c3c(c(-c4cc(C)oc4C)nc2cc1OCCCN1CCCC1)CCC(CC1CCN(C)CC1)N3.COc1cc2c3c(c(-c4ccc(C)o4)nc2cc1OCCCN1CCCC1)CCC(CC1CCN(C(C)=O)CC1)N3.COc1cc2c3c(c(-c4ccc(C)o4)nc2cc1OCCCN1CCCC1)CCC(CC1CCN(C2CCCCC2)CC1)N3
• InChI: InChI=1S/C37H52N4O3.C33H44N4O4.C33H46N4O3/c1-26-11-14-33(44-26)37-30-13-12-28(23-27-15-20-41(21-16-27)29-9-4-3-5-10-29)38-36(30)31-24-34(42-2)35(25-32(31)39-37)43-22-8-19-40-17-6-7-18-40;1-22-7-10-29(41-22)33-26-9-8-25(19-24-11-16-37(17-12-24)23(2)38)34-32(26)27-20-30(39-3)31(21-28(27)35-33)40-18-6-15-36-13-4-5-14-36;1-22-18-27(23(2)40-22)32-26-9-8-25(19-24-10-15-36(3)16-11-24)34-33(26)28-20-30(38-4)31(21-29(28)35-32)39-17-7-14-37-12-5-6-13-37/h11,14,24-25,27-29,38H,3-10,12-13,15-23H2,1-2H3;7,10,20-21,24-25,34H,4-6,8-9,11-19H2,1-3H3;18,20-21,24-25,34H,5-17,19H2,1-4H3
• InChIKey: KDWHKDQIQSCBJY-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 206.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1708.34
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone (CID 159105831) is 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone is COc1cc2c3c(c(-c4cc(C)oc4C)nc2cc1OCCCN1CCCC1)CCC(CC1CCN(C)CC1)N3.COc1cc2c3c(c(-c4ccc(C)o4)nc2cc1OCCCN1CCCC1)CCC(CC1CCN(C(C)=O)CC1)N3.COc1cc2c3c(c(-c4ccc(C)o4)nc2cc1OCCCN1CCCC1)CCC(CC1CCN(C2CCCCC2)CC1)N3.

What is the InChIKey of 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone?

The InChIKey is KDWHKDQIQSCBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52N4O3.C33H44N4O4.C33H46N4O3/c1-26-11-14-33(44-26)37-30-13-12-28(23-27-15-20-41(21-16-27)29-9-4-3-5-10-29)38-36(30)31-24-34(42-2)35(25-32(31)39-37)43-22-8-19-40-17-6-7-18-40;1-22-7-10-29(41-22)33-26-9-8-25(19-24-11-16-37(17-12-24)23(2)38)34-32(26)27-20-30(39-3)31(21-28(27)35-33)40-18-6-15-36-13-4-5-14-36;1-22-18-27(23(2)40-22)32-26-9-8-25(19-24-10-15-36(3)16-11-24)34-33(26)28-20-30(38-4)31(21-29(28)35-32)39-17-7-14-37-12-5-6-13-37/h11,14,24-25,27-29,38H,3-10,12-13,15-23H2,1-2H3;7,10,20-21,24-25,34H,4-6,8-9,11-19H2,1-3H3;18,20-21,24-25,34H,5-17,19H2,1-4H3.

What are the key properties of 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone?

2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 1708.34 g/mol, XLogP of 20.33, 28 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-cyclohexylpiperidin-4-yl)methyl]-9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;5-(2,5-dimethylfuran-3-yl)-9-methoxy-2-[(1-methylpiperidin-4-yl)methyl]-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;1-[4-[[9-methoxy-5-(5-methylfuran-2-yl)-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159105831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).