9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate

C90H107N13O8 — CID 161218287

About 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate

9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate (PubChem CID 161218287) has the molecular formula C90H107N13O8 and a molecular weight of 1498.93 g/mol. Its IUPAC name is 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate.

Molecular Properties

• Compound Name: 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate
• PubChem CID: 161218287
• Molecular Formula: C90H107N13O8
• Molecular Weight: 1498.93 g/mol
• Exact Mass: 1497.84
• IUPAC Name: 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate
• SMILES: CCN(CC)CCn1c2ccc(C(=O)CO)cc2c2cc(C(=O)OC)ccc21.CCN(CC)CCn1c2ccc(C(=O)NC)cc2c2cc(C(=O)NC)ccc21.CCN(CC)CCn1c2ccc(C(C)=O)cc2c2cc(-c3ccnc(C)n3)ccc21.CCN(CC)CCn1c2ccccc2c2c3c(ccc21)CC(=O)N3C
• InChI: InChI=1S/C25H28N4O.C22H28N4O2.C22H26N2O4.C21H25N3O/c1-5-28(6-2)13-14-29-24-9-7-19(17(3)30)15-21(24)22-16-20(8-10-25(22)29)23-11-12-26-18(4)27-23;1-5-25(6-2)11-12-26-19-9-7-15(21(27)23-3)13-17(19)18-14-16(22(28)24-4)8-10-20(18)26;1-4-23(5-2)10-11-24-19-8-6-15(21(26)14-25)12-17(19)18-13-16(22(27)28-3)7-9-20(18)24;1-4-23(5-2)12-13-24-17-9-7-6-8-16(17)20-18(24)11-10-15-14-19(25)22(3)21(15)20/h7-12,15-16H,5-6,13-14H2,1-4H3;7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,27)(H,24,28);6-9,12-13,25H,4-5,10-11,14H2,1-3H3;6-11H,4-5,12-14H2,1-3H3
• InChIKey: UXDYFTIZZYOIBS-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 217.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.93
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate?

The IUPAC name of 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate (CID 161218287) is 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate.

What is the SMILES notation for 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate?

The canonical SMILES for 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate is CCN(CC)CCn1c2ccc(C(=O)CO)cc2c2cc(C(=O)OC)ccc21.CCN(CC)CCn1c2ccc(C(=O)NC)cc2c2cc(C(=O)NC)ccc21.CCN(CC)CCn1c2ccc(C(C)=O)cc2c2cc(-c3ccnc(C)n3)ccc21.CCN(CC)CCn1c2ccccc2c2c3c(ccc21)CC(=O)N3C.

What is the InChIKey of 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate?

The InChIKey is UXDYFTIZZYOIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.C22H28N4O2.C22H26N2O4.C21H25N3O/c1-5-28(6-2)13-14-29-24-9-7-19(17(3)30)15-21(24)22-16-20(8-10-25(22)29)23-11-12-26-18(4)27-23;1-5-25(6-2)11-12-26-19-9-7-15(21(27)23-3)13-17(19)18-14-16(22(28)24-4)8-10-20(18)26;1-4-23(5-2)10-11-24-19-8-6-15(21(26)14-25)12-17(19)18-13-16(22(27)28-3)7-9-20(18)24;1-4-23(5-2)12-13-24-17-9-7-6-8-16(17)20-18(24)11-10-15-14-19(25)22(3)21(15)20/h7-12,15-16H,5-6,13-14H2,1-4H3;7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,27)(H,24,28);6-9,12-13,25H,4-5,10-11,14H2,1-3H3;6-11H,4-5,12-14H2,1-3H3.

What are the key properties of 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate?

9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate has a molecular weight of 1498.93 g/mol, XLogP of 14.71, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(diethylamino)ethyl]-3-N,6-N-dimethylcarbazole-3,6-dicarboxamide;1-[9-[2-(diethylamino)ethyl]-6-(2-methylpyrimidin-4-yl)carbazol-3-yl]ethanone;6-[2-(diethylamino)ethyl]-1-methyl-3H-pyrrolo[3,2-c]carbazol-2-one;methyl 9-[2-(diethylamino)ethyl]-6-(2-hydroxyacetyl)carbazole-3-carboxylate is sourced from PubChem (CID 161218287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).