[2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

C129H174N18O27 — CID 158730784

About [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

[2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (PubChem CID 158730784) has the molecular formula C129H174N18O27 and a molecular weight of 2408.91 g/mol. Its IUPAC name is [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

Molecular Properties

• Compound Name: [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
• PubChem CID: 158730784
• Molecular Formula: C129H174N18O27
• Molecular Weight: 2408.91 g/mol
• Exact Mass: 2407.28
• IUPAC Name: [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
• SMILES: CC(=O)OCC(=O)Nc1c(C(N)=O)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1[N+](=O)[O-])CCC(C(C)(C)C)C3.CCOC(=O)c1c(N)c2nc3c(cc2n1C(=O)OC(C)(C)C)CC(C(C)(C)C)CC3.CCOC(=O)c1c(NC(=O)COC(C)=O)c2nc3c(cc2n1C(=O)OC(C)(C)C)CC(C(C)(C)C)CC3.CCOC(=O)c1c([N+](=O)[O-])c2nc3c(cc2n1C(=O)OC(C)(C)C)CC(C(C)(C)C)CC3.CCOC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
• InChI: InChI=1S/C27H37N3O7.C23H31N3O6.C23H33N3O4.C20H26N4O4.C18H23N3O4.C18H24N2O2/c1-9-35-24(33)23-22(29-20(32)14-36-15(2)31)21-19(30(23)25(34)37-27(6,7)8)13-16-12-17(26(3,4)5)10-11-18(16)28-21;1-8-31-20(27)19-18(26(29)30)17-16(25(19)21(28)32-23(5,6)7)12-13-11-14(22(2,3)4)9-10-15(13)24-17;1-8-29-20(27)19-17(24)18-16(26(19)21(28)30-23(5,6)7)12-13-11-14(22(2,3)4)9-10-15(13)25-18;1-10(25)28-9-15(26)24-17-16-14(23-18(17)19(21)27)8-11-7-12(20(2,3)4)5-6-13(11)22-16;1-5-25-17(22)15-16(21(23)24)14-13(20-15)9-10-8-11(18(2,3)4)6-7-12(10)19-14;1-5-22-17(21)16-10-15-14(20-16)9-11-8-12(18(2,3)4)6-7-13(11)19-15/h13,17H,9-12,14H2,1-8H3,(H,29,32);12,14H,8-11H2,1-7H3;12,14H,8-11,24H2,1-7H3;8,12,23H,5-7,9H2,1-4H3,(H2,21,27)(H,24,26);9,11,20H,5-8H2,1-4H3;9-10,12,20H,5-8H2,1-4H3
• InChIKey: ILBNAVOUJNRPPE-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 616.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 19
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2408.91
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The IUPAC name of [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (CID 158730784) is [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

What is the SMILES notation for [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The canonical SMILES for [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is CC(=O)OCC(=O)Nc1c(C(N)=O)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1[N+](=O)[O-])CCC(C(C)(C)C)C3.CCOC(=O)c1c(N)c2nc3c(cc2n1C(=O)OC(C)(C)C)CC(C(C)(C)C)CC3.CCOC(=O)c1c(NC(=O)COC(C)=O)c2nc3c(cc2n1C(=O)OC(C)(C)C)CC(C(C)(C)C)CC3.CCOC(=O)c1c([N+](=O)[O-])c2nc3c(cc2n1C(=O)OC(C)(C)C)CC(C(C)(C)C)CC3.CCOC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.

What is the InChIKey of [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The InChIKey is ILBNAVOUJNRPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O7.C23H31N3O6.C23H33N3O4.C20H26N4O4.C18H23N3O4.C18H24N2O2/c1-9-35-24(33)23-22(29-20(32)14-36-15(2)31)21-19(30(23)25(34)37-27(6,7)8)13-16-12-17(26(3,4)5)10-11-18(16)28-21;1-8-31-20(27)19-18(26(29)30)17-16(25(19)21(28)32-23(5,6)7)12-13-11-14(22(2,3)4)9-10-15(13)24-17;1-8-29-20(27)19-17(24)18-16(26(19)21(28)30-23(5,6)7)12-13-11-14(22(2,3)4)9-10-15(13)25-18;1-10(25)28-9-15(26)24-17-16-14(23-18(17)19(21)27)8-11-7-12(20(2,3)4)5-6-13(11)22-16;1-5-25-17(22)15-16(21(23)24)14-13(20-15)9-10-8-11(18(2,3)4)6-7-12(10)19-14;1-5-22-17(21)16-10-15-14(20-16)9-11-8-12(18(2,3)4)6-7-13(11)19-15/h13,17H,9-12,14H2,1-8H3,(H,29,32);12,14H,8-11H2,1-7H3;12,14H,8-11,24H2,1-7H3;8,12,23H,5-7,9H2,1-4H3,(H2,21,27)(H,24,26);9,11,20H,5-8H2,1-4H3;9-10,12,20H,5-8H2,1-4H3.

What are the key properties of [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

[2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate has a molecular weight of 2408.91 g/mol, XLogP of 24.44, 19 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)amino]-2-oxoethyl] acetate;1-O-tert-butyl 2-O-ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 3-amino-7-tert-butyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;1-O-tert-butyl 2-O-ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoline-1,2-dicarboxylate;ethyl 7-tert-butyl-3-nitro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is sourced from PubChem (CID 158730784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).