8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one

C176H210FN25O19 — CID 163913509

IUPAC8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CCC(C)(O)CC2)C(=O)N4C)cn1.CN1C(=O)C2(CCC(C)(O)CC2)c2c1cnc1ccc(-c3ccc(OCCCN4CCCCC4)nc3)cc21.CN1C(=O)C2(CCOCC2)c2c1cnc1cc(F)c(-c3ccc(OCCCN4CCCCC4)nc3)cc21.CN1C(=O)C2(CCOCC2)c2c1cnc1ccc(-c3ccc(OCCCN4CCCCC4)nc3)cc21.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN5CCCCC5)nc4)cc3c12.COC1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c12
InChIInChI=1S/C31H37N5O4.C31H38N4O3.C29H33FN4O3.C29H34N4O3.2C28H34N4O3/c1-34-26-21-32-25-9-7-22(23-8-10-27(33-20-23)40-18-6-15-35-13-4-3-5-14-35)19-24(25)28(26)31(29(34)37)11-16-36(17-12-31)30(38)39-2;1-30(37)11-13-31(14-12-30)28-24-19-22(7-9-25(24)32-21-26(28)34(2)29(31)36)23-8-10-27(33-20-23)38-18-6-17-35-15-4-3-5-16-35;1-33-25-19-31-24-17-23(30)21(16-22(24)27(25)29(28(33)35)8-14-36-15-9-29)20-6-7-26(32-18-20)37-13-5-12-34-10-3-2-4-11-34;1-32-25-20-30-24-8-6-21(18-23(24)27(25)29(28(32)34)10-16-35-17-11-29)22-7-9-26(31-19-22)36-15-5-14-33-12-3-2-4-13-33;1-27(34)10-12-28(13-11-27)25-21-16-19(6-8-22(21)29-18-23(25)32(4)26(28)33)20-7-9-24(30-17-20)35-15-5-14-31(2)3;1-31(2)14-5-15-35-25-9-7-20(17-30-25)19-6-8-23-22(16-19)26-24(18-29-23)32(3)27(33)28(26)12-10-21(34-4)11-13-28/h7-10,19-21H,3-6,11-18H2,1-2H3;7-10,19-21,37H,3-6,11-18H2,1-2H3;6-7,16-19H,2-5,8-15H2,1H3;6-9,18-20H,2-5,10-17H2,1H3;6-9,16-18,34H,5,10-15H2,1-4H3;6-9,16-18,21H,5,10-15H2,1-4H3
InChIKeyQUFUDBMSYPJKFI-UHFFFAOYSA-N
MW2998.77 g/mol
LogP27.61
Rot. Bonds37

About 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 163913509) has the molecular formula C176H210FN25O19 and a molecular weight of 2998.77 g/mol. Its IUPAC name is 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID163913509
Molecular FormulaC176H210FN25O19
Molecular Weight2998.77 g/mol
Exact Mass2996.62
IUPAC Name8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CCC(C)(O)CC2)C(=O)N4C)cn1.CN1C(=O)C2(CCC(C)(O)CC2)c2c1cnc1ccc(-c3ccc(OCCCN4CCCCC4)nc3)cc21.CN1C(=O)C2(CCOCC2)c2c1cnc1cc(F)c(-c3ccc(OCCCN4CCCCC4)nc3)cc21.CN1C(=O)C2(CCOCC2)c2c1cnc1ccc(-c3ccc(OCCCN4CCCCC4)nc3)cc21.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN5CCCCC5)nc4)cc3c12.COC1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c12
InChIInChI=1S/C31H37N5O4.C31H38N4O3.C29H33FN4O3.C29H34N4O3.2C28H34N4O3/c1-34-26-21-32-25-9-7-22(23-8-10-27(33-20-23)40-18-6-15-35-13-4-3-5-14-35)19-24(25)28(26)31(29(34)37)11-16-36(17-12-31)30(38)39-2;1-30(37)11-13-31(14-12-30)28-24-19-22(7-9-25(24)32-21-26(28)34(2)29(31)36)23-8-10-27(33-20-23)38-18-6-17-35-15-4-3-5-16-35;1-33-25-19-31-24-17-23(30)21(16-22(24)27(25)29(28(33)35)8-14-36-15-9-29)20-6-7-26(32-18-20)37-13-5-12-34-10-3-2-4-11-34;1-32-25-20-30-24-8-6-21(18-23(24)27(25)29(28(32)34)10-16-35-17-11-29)22-7-9-26(31-19-22)36-15-5-14-33-12-3-2-4-13-33;1-27(34)10-12-28(13-11-27)25-21-16-19(6-8-22(21)29-18-23(25)32(4)26(28)33)20-7-9-24(30-17-20)35-15-5-14-31(2)3;1-31(2)14-5-15-35-25-9-7-20(17-30-25)19-6-8-23-22(16-19)26-24(18-29-23)32(3)27(33)28(26)12-10-21(34-4)11-13-28/h7-10,19-21H,3-6,11-18H2,1-2H3;7-10,19-21,37H,3-6,11-18H2,1-2H3;6-7,16-19H,2-5,8-15H2,1H3;6-9,18-20H,2-5,10-17H2,1H3;6-9,16-18,34H,5,10-15H2,1-4H3;6-9,16-18,21H,5,10-15H2,1-4H3
InChIKeyQUFUDBMSYPJKFI-UHFFFAOYSA-N
XLogP27.61
TPSA449.05 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002998.77
LogP ≤ 527.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 163913509) is 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CCC(C)(O)CC2)C(=O)N4C)cn1.CN1C(=O)C2(CCC(C)(O)CC2)c2c1cnc1ccc(-c3ccc(OCCCN4CCCCC4)nc3)cc21.CN1C(=O)C2(CCOCC2)c2c1cnc1cc(F)c(-c3ccc(OCCCN4CCCCC4)nc3)cc21.CN1C(=O)C2(CCOCC2)c2c1cnc1ccc(-c3ccc(OCCCN4CCCCC4)nc3)cc21.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN5CCCCC5)nc4)cc3c12.COC1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c12.
What is the InChIKey of 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is QUFUDBMSYPJKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O4.C31H38N4O3.C29H33FN4O3.C29H34N4O3.2C28H34N4O3/c1-34-26-21-32-25-9-7-22(23-8-10-27(33-20-23)40-18-6-15-35-13-4-3-5-14-35)19-24(25)28(26)31(29(34)37)11-16-36(17-12-31)30(38)39-2;1-30(37)11-13-31(14-12-30)28-24-19-22(7-9-25(24)32-21-26(28)34(2)29(31)36)23-8-10-27(33-20-23)38-18-6-17-35-15-4-3-5-16-35;1-33-25-19-31-24-17-23(30)21(16-22(24)27(25)29(28(33)35)8-14-36-15-9-29)20-6-7-26(32-18-20)37-13-5-12-34-10-3-2-4-11-34;1-32-25-20-30-24-8-6-21(18-23(24)27(25)29(28(32)34)10-16-35-17-11-29)22-7-9-26(31-19-22)36-15-5-14-33-12-3-2-4-13-33;1-27(34)10-12-28(13-11-27)25-21-16-19(6-8-22(21)29-18-23(25)32(4)26(28)33)20-7-9-24(30-17-20)35-15-5-14-31(2)3;1-31(2)14-5-15-35-25-9-7-20(17-30-25)19-6-8-23-22(16-19)26-24(18-29-23)32(3)27(33)28(26)12-10-21(34-4)11-13-28/h7-10,19-21H,3-6,11-18H2,1-2H3;7-10,19-21,37H,3-6,11-18H2,1-2H3;6-7,16-19H,2-5,8-15H2,1H3;6-9,18-20H,2-5,10-17H2,1H3;6-9,16-18,34H,5,10-15H2,1-4H3;6-9,16-18,21H,5,10-15H2,1-4H3.
What are the key properties of 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 2998.77 g/mol, XLogP of 27.61, 37 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-hydroxy-1,3'-dimethylspiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methoxy-3'-methylspiro[cyclohexane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one;7'-fluoro-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;1-hydroxy-1,3'-dimethyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[cyclohexane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 163913509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).