methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate

C59H71N9O6 — CID 156568904

About methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate

methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate (PubChem CID 156568904) has the molecular formula C59H71N9O6 and a molecular weight of 1002.27 g/mol. Its IUPAC name is methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate.

Molecular Properties

• Compound Name: methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate
• PubChem CID: 156568904
• Molecular Formula: C59H71N9O6
• Molecular Weight: 1002.27 g/mol
• Exact Mass: 1001.55
• IUPAC Name: methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate
• SMILES: CCCC1(CCCC(=O)OC)C(=O)N(C)c2cnc3ccc(-c4ccc(OCCCN(C)CCN5C(=O)C6(CCN(C7CC7)CC6)c6c5cnc5ccc(-c7ccc(OCCCN(C)C)nc7)cc65)nc4)cc3c21
• InChI: InChI=1S/C59H71N9O6/c1-7-22-58(23-8-11-53(69)72-6)54-45-34-40(12-18-47(45)60-38-49(54)66(5)56(58)70)42-15-21-52(63-36-42)74-33-10-27-65(4)30-31-68-50-39-61-48-19-13-41(43-14-20-51(62-37-43)73-32-9-26-64(2)3)35-46(48)55(50)59(57(68)71)24-28-67(29-25-59)44-16-17-44/h12-15,18-21,34-39,44H,7-11,16-17,22-33H2,1-6H3
• InChIKey: PNZRFOWRPZBCDZ-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 146.66 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1002.27
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate (CID 156568904) is methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate.

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

The canonical SMILES for methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate is CCCC1(CCCC(=O)OC)C(=O)N(C)c2cnc3ccc(-c4ccc(OCCCN(C)CCN5C(=O)C6(CCN(C7CC7)CC6)c6c5cnc5ccc(-c7ccc(OCCCN(C)C)nc7)cc65)nc4)cc3c21.

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

The InChIKey is PNZRFOWRPZBCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H71N9O6/c1-7-22-58(23-8-11-53(69)72-6)54-45-34-40(12-18-47(45)60-38-49(54)66(5)56(58)70)42-15-21-52(63-36-42)74-33-10-27-65(4)30-31-68-50-39-61-48-19-13-41(43-14-20-51(62-37-43)73-32-9-26-64(2)3)35-46(48)55(50)59(57(68)71)24-28-67(29-25-59)44-16-17-44/h12-15,18-21,34-39,44H,7-11,16-17,22-33H2,1-6H3.

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

methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate has a molecular weight of 1002.27 g/mol, XLogP of 8.84, 22 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[8-[6-[3-[2-[1-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-3'-yl]ethyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-2-oxo-1-propylpyrrolo[2,3-c]quinolin-1-yl]butanoate is sourced from PubChem (CID 156568904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).