N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

C122H175N21O17 — CID 161156482

About N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (PubChem CID 161156482) has the molecular formula C122H175N21O17 and a molecular weight of 2207.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
• PubChem CID: 161156482
• Molecular Formula: C122H175N21O17
• Molecular Weight: 2207.87 g/mol
• Exact Mass: 2206.35
• IUPAC Name: N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
• SMILES: CC(C)(C)C1CCc2nc3c(CCCO)c(C(=O)NCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(NC(=O)CO)c(C(N)=O)[nH]c3cc2C1.CCOC(=O)c1[nH]c2cc3c(nc2c1NC(=O)COC(C)=O)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1NCCO)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1NCCOC)CCC(C(C)(C)C)C3.CCc1c(C(=O)NCCN)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
• InChI: InChI=1S/C22H29N3O5.C21H32N4O2.C21H31N3O3.C20H30N4O.C20H29N3O3.C18H24N4O3/c1-6-29-21(28)20-19(25-17(27)11-30-12(2)26)18-16(24-20)10-13-9-14(22(3,4)5)7-8-15(13)23-18;1-21(2,3)14-6-7-16-13(11-14)12-17-18(24-16)15(5-4-10-26)19(25-17)20(27)23-9-8-22;1-6-27-20(25)19-18(22-9-10-26-5)17-16(24-19)12-13-11-14(21(2,3)4)7-8-15(13)23-17;1-5-14-17-16(24-18(14)19(25)22-9-8-21)11-12-10-13(20(2,3)4)6-7-15(12)23-17;1-5-26-19(25)18-17(21-8-9-24)16-15(23-18)11-12-10-13(20(2,3)4)6-7-14(12)22-16;1-18(2,3)10-4-5-11-9(6-10)7-12-14(20-11)15(22-13(24)8-23)16(21-12)17(19)25/h10,14,24H,6-9,11H2,1-5H3,(H,25,27);12,14,25-26H,4-11,22H2,1-3H3,(H,23,27);12,14,22,24H,6-11H2,1-5H3;11,13,24H,5-10,21H2,1-4H3,(H,22,25);11,13,21,23-24H,5-10H2,1-4H3;7,10,21,23H,4-6,8H2,1-3H3,(H2,19,25)(H,22,24)
• InChIKey: UPIZJHFEIBCVLR-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 582.79 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2207.87
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The IUPAC name of N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (CID 161156482) is N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

What is the SMILES notation for N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The canonical SMILES for N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is CC(C)(C)C1CCc2nc3c(CCCO)c(C(=O)NCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(NC(=O)CO)c(C(N)=O)[nH]c3cc2C1.CCOC(=O)c1[nH]c2cc3c(nc2c1NC(=O)COC(C)=O)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1NCCO)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1NCCOC)CCC(C(C)(C)C)C3.CCc1c(C(=O)NCCN)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.

What is the InChIKey of N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The InChIKey is UPIZJHFEIBCVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5.C21H32N4O2.C21H31N3O3.C20H30N4O.C20H29N3O3.C18H24N4O3/c1-6-29-21(28)20-19(25-17(27)11-30-12(2)26)18-16(24-20)10-13-9-14(22(3,4)5)7-8-15(13)23-18;1-21(2,3)14-6-7-16-13(11-14)12-17-18(24-16)15(5-4-10-26)19(25-17)20(27)23-9-8-22;1-6-27-20(25)19-18(22-9-10-26-5)17-16(24-19)12-13-11-14(21(2,3)4)7-8-15(13)23-17;1-5-14-17-16(24-18(14)19(25)22-9-8-21)11-12-10-13(20(2,3)4)6-7-15(12)23-17;1-5-26-19(25)18-17(21-8-9-24)16-15(23-18)11-12-10-13(20(2,3)4)6-7-14(12)22-16;1-18(2,3)10-4-5-11-9(6-10)7-12-14(20-11)15(22-13(24)8-23)16(21-12)17(19)25/h10,14,24H,6-9,11H2,1-5H3,(H,25,27);12,14,25-26H,4-11,22H2,1-3H3,(H,23,27);12,14,22,24H,6-11H2,1-5H3;11,13,24H,5-10,21H2,1-4H3,(H,22,25);11,13,21,23-24H,5-10H2,1-4H3;7,10,21,23H,4-6,8H2,1-3H3,(H2,19,25)(H,22,24).

What are the key properties of N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate has a molecular weight of 2207.87 g/mol, XLogP of 17.67, 29 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-7-tert-butyl-3-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-[(2-hydroxyacetyl)amino]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-[(2-acetyloxyacetyl)amino]-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2-methoxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is sourced from PubChem (CID 161156482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).