ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid

C131H132BrF3N8O18 — CID 159170271

About ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid

ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid (PubChem CID 159170271) has the molecular formula C131H132BrF3N8O18 and a molecular weight of 2243.43 g/mol. Its IUPAC name is ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid.

Molecular Properties

• Compound Name: ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
• PubChem CID: 159170271
• Molecular Formula: C131H132BrF3N8O18
• Molecular Weight: 2243.43 g/mol
• Exact Mass: 2240.88
• IUPAC Name: ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
• SMILES: C=Cc1cc2c(cc1OC)CCn1cc(C(=O)OCC)cc1-2.CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(Br)cc1-2.CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(CC)cc1-2.CCOC(=O)c1cc2n(c1-c1cccc(F)c1)CCc1cc(OC)c(CC)cc1-2.CCc1cc2c(cc1OC)CCn1c-2cc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1-c1cccc(F)c1.CCc1cc2c(cc1OC)CCn1c-2cc(C(=O)O)c1-c1cccc(F)c1
• InChI: InChI=1S/C33H32FN3O3.C24H24FNO3.C22H20FNO3.C18H21NO3.C18H19NO3.C16H16BrNO3/c1-3-20-15-27-21(16-31(20)40-2)11-12-37-30(27)17-28(32(37)22-7-6-8-24(34)13-22)33(39)36-25(19-38)14-23-18-35-29-10-5-4-9-26(23)29;1-4-15-12-19-16(13-22(15)28-3)9-10-26-21(19)14-20(24(27)29-5-2)23(26)17-7-6-8-18(25)11-17;1-3-13-10-17-14(11-20(13)27-2)7-8-24-19(17)12-18(22(25)26)21(24)15-5-4-6-16(23)9-15;2*1-4-12-8-15-13(10-17(12)21-3)6-7-19-11-14(9-16(15)19)18(20)22-5-2;1-3-21-16(19)11-6-14-12-8-13(17)15(20-2)7-10(12)4-5-18(14)9-11/h4-10,13,15-18,25,35,38H,3,11-12,14,19H2,1-2H3,(H,36,39);6-8,11-14H,4-5,9-10H2,1-3H3;4-6,9-12H,3,7-8H2,1-2H3,(H,25,26);8-11H,4-7H2,1-3H3;4,8-11H,1,5-7H2,2-3H3;6-9H,3-5H2,1-2H3/t25-;;;;;/m1...../s1
• InChIKey: KLPFWMKYDSSUPE-PZHSBIEDSA-N
• XLogP: 26.61
• TPSA: 292.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.43
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid?

The IUPAC name of ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid (CID 159170271) is ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid.

What is the SMILES notation for ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid?

The canonical SMILES for ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid is C=Cc1cc2c(cc1OC)CCn1cc(C(=O)OCC)cc1-2.CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(Br)cc1-2.CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(CC)cc1-2.CCOC(=O)c1cc2n(c1-c1cccc(F)c1)CCc1cc(OC)c(CC)cc1-2.CCc1cc2c(cc1OC)CCn1c-2cc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1-c1cccc(F)c1.CCc1cc2c(cc1OC)CCn1c-2cc(C(=O)O)c1-c1cccc(F)c1.

What is the InChIKey of ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid?

The InChIKey is KLPFWMKYDSSUPE-PZHSBIEDSA-N. The full InChI is InChI=1S/C33H32FN3O3.C24H24FNO3.C22H20FNO3.C18H21NO3.C18H19NO3.C16H16BrNO3/c1-3-20-15-27-21(16-31(20)40-2)11-12-37-30(27)17-28(32(37)22-7-6-8-24(34)13-22)33(39)36-25(19-38)14-23-18-35-29-10-5-4-9-26(23)29;1-4-15-12-19-16(13-22(15)28-3)9-10-26-21(19)14-20(24(27)29-5-2)23(26)17-7-6-8-18(25)11-17;1-3-13-10-17-14(11-20(13)27-2)7-8-24-19(17)12-18(22(25)26)21(24)15-5-4-6-16(23)9-15;2*1-4-12-8-15-13(10-17(12)21-3)6-7-19-11-14(9-16(15)19)18(20)22-5-2;1-3-21-16(19)11-6-14-12-8-13(17)15(20-2)7-10(12)4-5-18(14)9-11/h4-10,13,15-18,25,35,38H,3,11-12,14,19H2,1-2H3,(H,36,39);6-8,11-14H,4-5,9-10H2,1-3H3;4-6,9-12H,3,7-8H2,1-2H3,(H,25,26);8-11H,4-7H2,1-3H3;4,8-11H,1,5-7H2,2-3H3;6-9H,3-5H2,1-2H3/t25-;;;;;/m1...../s1.

What are the key properties of ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid?

ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid has a molecular weight of 2243.43 g/mol, XLogP of 26.61, 28 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid is sourced from PubChem (CID 159170271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).