3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one

C81H92N14O7 — CID 146482010

About 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one

3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146482010) has the molecular formula C81H92N14O7 and a molecular weight of 1373.72 g/mol. Its IUPAC name is 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

• Compound Name: 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
• PubChem CID: 146482010
• Molecular Formula: C81H92N14O7
• Molecular Weight: 1373.72 g/mol
• Exact Mass: 1372.73
• IUPAC Name: 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
• SMILES: CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CCN(C)CC2)C(=O)N4CCN(C)CCCOc2ccc(-c3ccc4ncc5c(c4c3)C3(CCNCC3)C(=O)N5CCN(C)CCCOc3ccc(-c4ccc5ncc6c(c5c4)C4(CCOCC4)C(=O)N6C4CC4)cn3)cn2)cn1
• InChI: InChI=1S/C81H92N14O7/c1-89(2)31-6-40-100-70-20-12-58(48-86-70)55-10-18-65-62(46-55)74-68(52-84-65)94(77(97)80(74)25-34-92(5)35-26-80)39-37-91(4)33-8-42-101-71-21-13-57(49-87-71)54-9-17-64-61(45-54)73-67(51-83-64)93(76(96)79(73)23-29-82-30-24-79)38-36-90(3)32-7-41-102-72-22-14-59(50-88-72)56-11-19-66-63(47-56)75-69(53-85-66)95(60-15-16-60)78(98)81(75)27-43-99-44-28-81/h9-14,17-22,45-53,60,82H,6-8,15-16,23-44H2,1-5H3
• InChIKey: ZYSCXNUKGKXDJM-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 200.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1373.72
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?

The IUPAC name of 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146482010) is 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one.

What is the SMILES notation for 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?

The canonical SMILES for 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CCN(C)CC2)C(=O)N4CCN(C)CCCOc2ccc(-c3ccc4ncc5c(c4c3)C3(CCNCC3)C(=O)N5CCN(C)CCCOc3ccc(-c4ccc5ncc6c(c5c4)C4(CCOCC4)C(=O)N6C4CC4)cn3)cn2)cn1.

What is the InChIKey of 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?

The InChIKey is ZYSCXNUKGKXDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H92N14O7/c1-89(2)31-6-40-100-70-20-12-58(48-86-70)55-10-18-65-62(46-55)74-68(52-84-65)94(77(97)80(74)25-34-92(5)35-26-80)39-37-91(4)33-8-42-101-71-21-13-57(49-87-71)54-9-17-64-61(45-54)73-67(51-83-64)93(76(96)79(73)23-29-82-30-24-79)38-36-90(3)32-7-41-102-72-22-14-59(50-88-72)56-11-19-66-63(47-56)75-69(53-85-66)95(60-15-16-60)78(98)81(75)27-43-99-44-28-81/h9-14,17-22,45-53,60,82H,6-8,15-16,23-44H2,1-5H3.

What are the key properties of 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?

3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 1373.72 g/mol, XLogP of 10.48, 25 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-cyclopropyl-8'-[6-[3-[2-[8'-[6-[3-[2-[8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146482010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).