8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide

C133H151N9O23 — CID 160556605

IUPAC8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
SMILESCCC(=O)NCCc1ccc(OC)c(OC)c1.CCC1=NCCc2cc(OC)c(OC)cc21.CCOC(=O)c1c(C)c2n(c1-c1ccccc1)CCc1cc(OC)c(OC)cc1-2.CCOC(=O)c1cn2c(c1C)-c1cc(OC)c(OC)cc1CC2.COc1cc2c(cc1OC)-c1c(C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c(-c3ccccc3)n1CC2.COc1cc2c(cc1OC)-c1c(C)c(C(=O)O)c(-c3ccccc3)n1CC2.COc1ccc(CCN)cc1OC
InChIInChI=1S/C33H33N3O4.C24H25NO4.C22H21NO4.C18H21NO4.C13H19NO3.C13H17NO2.C10H15NO2/c1-20-30(33(38)35-24(19-37)15-23-18-34-27-12-8-7-11-25(23)27)32(21-9-5-4-6-10-21)36-14-13-22-16-28(39-2)29(40-3)17-26(22)31(20)36;1-5-29-24(26)21-15(2)22-18-14-20(28-4)19(27-3)13-17(18)11-12-25(22)23(21)16-9-7-6-8-10-16;1-13-19(22(24)25)21(14-7-5-4-6-8-14)23-10-9-15-11-17(26-2)18(27-3)12-16(15)20(13)23;1-5-23-18(20)14-10-19-7-6-12-8-15(21-3)16(22-4)9-13(12)17(19)11(14)2;1-4-13(15)14-8-7-10-5-6-11(16-2)12(9-10)17-3;1-4-11-10-8-13(16-3)12(15-2)7-9(10)5-6-14-11;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h4-12,16-18,24,34,37H,13-15,19H2,1-3H3,(H,35,38);6-10,13-14H,5,11-12H2,1-4H3;4-8,11-12H,9-10H2,1-3H3,(H,24,25);8-10H,5-7H2,1-4H3;5-6,9H,4,7-8H2,1-3H3,(H,14,15);7-8H,4-6H2,1-3H3;3-4,7H,5-6,11H2,1-2H3/t24-;;;;;;/m1....../s1
InChIKeyQYTLZRAMJIWWJL-OHYBOPMISA-N
MW2243.71 g/mol
LogP23.45
Rot. Bonds34

About 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide

8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide (PubChem CID 160556605) has the molecular formula C133H151N9O23 and a molecular weight of 2243.71 g/mol. Its IUPAC name is 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
PubChem CID160556605
Molecular FormulaC133H151N9O23
Molecular Weight2243.71 g/mol
Exact Mass2242.09
IUPAC Name8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
SMILESCCC(=O)NCCc1ccc(OC)c(OC)c1.CCC1=NCCc2cc(OC)c(OC)cc21.CCOC(=O)c1c(C)c2n(c1-c1ccccc1)CCc1cc(OC)c(OC)cc1-2.CCOC(=O)c1cn2c(c1C)-c1cc(OC)c(OC)cc1CC2.COc1cc2c(cc1OC)-c1c(C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c(-c3ccccc3)n1CC2.COc1cc2c(cc1OC)-c1c(C)c(C(=O)O)c(-c3ccccc3)n1CC2.COc1ccc(CCN)cc1OC
InChIInChI=1S/C33H33N3O4.C24H25NO4.C22H21NO4.C18H21NO4.C13H19NO3.C13H17NO2.C10H15NO2/c1-20-30(33(38)35-24(19-37)15-23-18-34-27-12-8-7-11-25(23)27)32(21-9-5-4-6-10-21)36-14-13-22-16-28(39-2)29(40-3)17-26(22)31(20)36;1-5-29-24(26)21-15(2)22-18-14-20(28-4)19(27-3)13-17(18)11-12-25(22)23(21)16-9-7-6-8-10-16;1-13-19(22(24)25)21(14-7-5-4-6-8-14)23-10-9-15-11-17(26-2)18(27-3)12-16(15)20(13)23;1-5-23-18(20)14-10-19-7-6-12-8-15(21-3)16(22-4)9-13(12)17(19)11(14)2;1-4-13(15)14-8-7-10-5-6-11(16-2)12(9-10)17-3;1-4-11-10-8-13(16-3)12(15-2)7-9(10)5-6-14-11;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h4-12,16-18,24,34,37H,13-15,19H2,1-3H3,(H,35,38);6-10,13-14H,5,11-12H2,1-4H3;4-8,11-12H,9-10H2,1-3H3,(H,24,25);8-10H,5-7H2,1-4H3;5-6,9H,4,7-8H2,1-3H3,(H,14,15);7-8H,4-6H2,1-3H3;3-4,7H,5-6,11H2,1-2H3/t24-;;;;;;/m1....../s1
InChIKeyQYTLZRAMJIWWJL-OHYBOPMISA-N
XLogP23.45
TPSA371.44 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.71
LogP ≤ 523.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide?
The IUPAC name of 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide (CID 160556605) is 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide.
What is the SMILES notation for 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide?
The canonical SMILES for 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide is CCC(=O)NCCc1ccc(OC)c(OC)c1.CCC1=NCCc2cc(OC)c(OC)cc21.CCOC(=O)c1c(C)c2n(c1-c1ccccc1)CCc1cc(OC)c(OC)cc1-2.CCOC(=O)c1cn2c(c1C)-c1cc(OC)c(OC)cc1CC2.COc1cc2c(cc1OC)-c1c(C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c(-c3ccccc3)n1CC2.COc1cc2c(cc1OC)-c1c(C)c(C(=O)O)c(-c3ccccc3)n1CC2.COc1ccc(CCN)cc1OC.
What is the InChIKey of 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide?
The InChIKey is QYTLZRAMJIWWJL-OHYBOPMISA-N. The full InChI is InChI=1S/C33H33N3O4.C24H25NO4.C22H21NO4.C18H21NO4.C13H19NO3.C13H17NO2.C10H15NO2/c1-20-30(33(38)35-24(19-37)15-23-18-34-27-12-8-7-11-25(23)27)32(21-9-5-4-6-10-21)36-14-13-22-16-28(39-2)29(40-3)17-26(22)31(20)36;1-5-29-24(26)21-15(2)22-18-14-20(28-4)19(27-3)13-17(18)11-12-25(22)23(21)16-9-7-6-8-10-16;1-13-19(22(24)25)21(14-7-5-4-6-8-14)23-10-9-15-11-17(26-2)18(27-3)12-16(15)20(13)23;1-5-23-18(20)14-10-19-7-6-12-8-15(21-3)16(22-4)9-13(12)17(19)11(14)2;1-4-13(15)14-8-7-10-5-6-11(16-2)12(9-10)17-3;1-4-11-10-8-13(16-3)12(15-2)7-9(10)5-6-14-11;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h4-12,16-18,24,34,37H,13-15,19H2,1-3H3,(H,35,38);6-10,13-14H,5,11-12H2,1-4H3;4-8,11-12H,9-10H2,1-3H3,(H,24,25);8-10H,5-7H2,1-4H3;5-6,9H,4,7-8H2,1-3H3,(H,14,15);7-8H,4-6H2,1-3H3;3-4,7H,5-6,11H2,1-2H3/t24-;;;;;;/m1....../s1.
What are the key properties of 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide?
8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide has a molecular weight of 2243.71 g/mol, XLogP of 23.45, 34 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide is sourced from PubChem (CID 160556605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).