6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole
C128H127Br6N15O8 — CID 158866765
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC(=O)Nc1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.CC1CCc2c(n(C)c3ccc(Br)cc23)C1=O.COc1ccc2[nH]c3c(c2c1)CCCC3n1cccc1.COc1cccc(CNC2CCCc3c2[nH]c2ccc(Br)cc32)c1OC.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cn1.Cc1ccc(OC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1cccnc1
InChIInChI=1S/C21H23BrN2O2.C20H20BrN3O.C19H18BrN3O.C19H18BrNO.C18H16BrN3O.C17H18N2O.C14H14BrNO/c1-25-19-8-3-5-13(21(19)26-2)12-23-18-7-4-6-15-16-11-14(22)9-10-17(16)24-20(15)18;1-12(25)22-14-6-8-15(9-7-14)23-19-4-2-3-16-17-11-13(21)5-10-18(17)24-20(16)19;1-11-5-6-12(10-21-11)19(24)23-17-4-2-3-14-15-9-13(20)7-8-16(15)22-18(14)17;1-12-5-8-14(9-6-12)22-18-4-2-3-15-16-11-13(20)7-10-17(16)21-19(15)18;19-12-6-7-15-14(9-12)13-4-1-5-16(17(13)21-15)22-18(23)11-3-2-8-20-10-11;1-20-12-7-8-15-14(11-12)13-5-4-6-16(17(13)18-15)19-9-2-3-10-19;1-8-3-5-10-11-7-9(15)4-6-12(11)16(2)13(10)14(8)17/h3,5,8-11,18,23-24H,4,6-7,12H2,1-2H3;5-11,19,23-24H,2-4H2,1H3,(H,22,25);5-10,17,22H,2-4H2,1H3,(H,23,24);5-11,18,21H,2-4H2,1H3;2-3,6-10,16,21H,1,4-5H2,(H,22,23);2-3,7-11,16,18H,4-6H2,1H3;4,6-8H,3,5H2,1-2H3
InChIKeyJBIHZVTXWQXBML-UHFFFAOYSA-N
MW2482.94 g/mol
LogP32.37
Rot. Bonds16
About 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole
6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 158866765) has the molecular formula C128H127Br6N15O8 and a molecular weight of 2482.94 g/mol. Its IUPAC name is 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole.
Molecular Properties
| Compound Name | 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole |
|---|---|
| PubChem CID | 158866765 |
| Molecular Formula | C128H127Br6N15O8 |
| Molecular Weight | 2482.94 g/mol |
| Exact Mass | 2475.51 |
| IUPAC Name | 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole |
| SMILES | CC(=O)Nc1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.CC1CCc2c(n(C)c3ccc(Br)cc23)C1=O.COc1ccc2[nH]c3c(c2c1)CCCC3n1cccc1.COc1cccc(CNC2CCCc3c2[nH]c2ccc(Br)cc32)c1OC.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cn1.Cc1ccc(OC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1cccnc1 |
| InChI | InChI=1S/C21H23BrN2O2.C20H20BrN3O.C19H18BrN3O.C19H18BrNO.C18H16BrN3O.C17H18N2O.C14H14BrNO/c1-25-19-8-3-5-13(21(19)26-2)12-23-18-7-4-6-15-16-11-14(22)9-10-17(16)24-20(15)18;1-12(25)22-14-6-8-15(9-7-14)23-19-4-2-3-16-17-11-13(21)5-10-18(17)24-20(16)19;1-11-5-6-12(10-21-11)19(24)23-17-4-2-3-14-15-9-13(20)7-8-16(15)22-18(14)17;1-12-5-8-14(9-6-12)22-18-4-2-3-15-16-11-13(20)7-10-17(16)21-19(15)18;19-12-6-7-15-14(9-12)13-4-1-5-16(17(13)21-15)22-18(23)11-3-2-8-20-10-11;1-20-12-7-8-15-14(11-12)13-5-4-6-16(17(13)18-15)19-9-2-3-10-19;1-8-3-5-10-11-7-9(15)4-6-12(11)16(2)13(10)14(8)17/h3,5,8-11,18,23-24H,4,6-7,12H2,1-2H3;5-11,19,23-24H,2-4H2,1H3,(H,22,25);5-10,17,22H,2-4H2,1H3,(H,23,24);5-11,18,21H,2-4H2,1H3;2-3,6-10,16,21H,1,4-5H2,(H,22,23);2-3,7-11,16,18H,4-6H2,1H3;4,6-8H,3,5H2,1-2H3 |
| InChIKey | JBIHZVTXWQXBML-UHFFFAOYSA-N |
| XLogP | 32.37 |
| TPSA | 295.73 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 157 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2482.94 |
| LogP ≤ 5 | 32.37 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole (CID 158866765) is 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole is CC(=O)Nc1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.CC1CCc2c(n(C)c3ccc(Br)cc23)C1=O.COc1ccc2[nH]c3c(c2c1)CCCC3n1cccc1.COc1cccc(CNC2CCCc3c2[nH]c2ccc(Br)cc32)c1OC.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cn1.Cc1ccc(OC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1cccnc1.
What is the InChIKey of 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is JBIHZVTXWQXBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2.C20H20BrN3O.C19H18BrN3O.C19H18BrNO.C18H16BrN3O.C17H18N2O.C14H14BrNO/c1-25-19-8-3-5-13(21(19)26-2)12-23-18-7-4-6-15-16-11-14(22)9-10-17(16)24-20(15)18;1-12(25)22-14-6-8-15(9-7-14)23-19-4-2-3-16-17-11-13(21)5-10-18(17)24-20(16)19;1-11-5-6-12(10-21-11)19(24)23-17-4-2-3-14-15-9-13(20)7-8-16(15)22-18(14)17;1-12-5-8-14(9-6-12)22-18-4-2-3-15-16-11-13(20)7-10-17(16)21-19(15)18;19-12-6-7-15-14(9-12)13-4-1-5-16(17(13)21-15)22-18(23)11-3-2-8-20-10-11;1-20-12-7-8-15-14(11-12)13-5-4-6-16(17(13)18-15)19-9-2-3-10-19;1-8-3-5-10-11-7-9(15)4-6-12(11)16(2)13(10)14(8)17/h3,5,8-11,18,23-24H,4,6-7,12H2,1-2H3;5-11,19,23-24H,2-4H2,1H3,(H,22,25);5-10,17,22H,2-4H2,1H3,(H,23,24);5-11,18,21H,2-4H2,1H3;2-3,6-10,16,21H,1,4-5H2,(H,22,23);2-3,7-11,16,18H,4-6H2,1H3;4,6-8H,3,5H2,1-2H3.
What are the key properties of 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole?
6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 2482.94 g/mol, XLogP of 32.37, 16 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 158866765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158866765 — identifiers, structure, computed properties (public domain)
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