3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

C125H182N18O15 — CID 160683506

About 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (PubChem CID 160683506) has the molecular formula C125H182N18O15 and a molecular weight of 2176.94 g/mol. Its IUPAC name is 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

Molecular Properties

• Compound Name: 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
• PubChem CID: 160683506
• Molecular Formula: C125H182N18O15
• Molecular Weight: 2176.94 g/mol
• Exact Mass: 2175.40
• IUPAC Name: 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
• SMILES: CC(C)(C)C1CCc2nc3c(CCCN)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)OC(=O)NCCCc1c(C(N)=O)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1CC(O)CO)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1CCCN)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1CCCO)CCC(C(C)(C)C)C3
• InChI: InChI=1S/C24H36N4O3.C21H31N3O2.C21H30N2O4.C21H30N2O3.C19H28N4O.C19H27N3O2/c1-23(2,3)15-9-10-17-14(12-15)13-18-19(27-17)16(20(28-18)21(25)29)8-7-11-26-22(30)31-24(4,5)6;1-5-26-20(25)19-15(7-6-10-22)18-17(24-19)12-13-11-14(21(2,3)4)8-9-16(13)23-18;1-5-27-20(26)19-15(10-14(25)11-24)18-17(23-19)9-12-8-13(21(2,3)4)6-7-16(12)22-18;1-5-26-20(25)19-15(7-6-10-24)18-17(23-19)12-13-11-14(21(2,3)4)8-9-16(13)22-18;1-19(2,3)12-6-7-14-11(9-12)10-15-16(22-14)13(5-4-8-20)17(23-15)18(21)24;1-19(2,3)12-6-7-14-11(9-12)10-15-16(21-14)13(5-4-8-23)17(22-15)18(20)24/h13,15,28H,7-12H2,1-6H3,(H2,25,29)(H,26,30);12,14,24H,5-11,22H2,1-4H3;9,13-14,23-25H,5-8,10-11H2,1-4H3;12,14,23-24H,5-11H2,1-4H3;10,12,23H,4-9,20H2,1-3H3,(H2,21,24);10,12,22-23H,4-9H2,1-3H3,(H2,20,24)
• InChIKey: ROLNTEYDBKYCTE-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 551.54 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2176.94
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	23

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 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The IUPAC name of 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (CID 160683506) is 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

What is the SMILES notation for 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The canonical SMILES for 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is CC(C)(C)C1CCc2nc3c(CCCN)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)OC(=O)NCCCc1c(C(N)=O)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1CC(O)CO)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1CCCN)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1CCCO)CCC(C(C)(C)C)C3.

What is the InChIKey of 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The InChIKey is ROLNTEYDBKYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3.C21H31N3O2.C21H30N2O4.C21H30N2O3.C19H28N4O.C19H27N3O2/c1-23(2,3)15-9-10-17-14(12-15)13-18-19(27-17)16(20(28-18)21(25)29)8-7-11-26-22(30)31-24(4,5)6;1-5-26-20(25)19-15(7-6-10-22)18-17(24-19)12-13-11-14(21(2,3)4)8-9-16(13)23-18;1-5-27-20(26)19-15(10-14(25)11-24)18-17(23-19)9-12-8-13(21(2,3)4)6-7-16(12)22-18;1-5-26-20(25)19-15(7-6-10-24)18-17(23-19)12-13-11-14(21(2,3)4)8-9-16(13)22-18;1-19(2,3)12-6-7-14-11(9-12)10-15-16(22-14)13(5-4-8-20)17(23-15)18(21)24;1-19(2,3)12-6-7-14-11(9-12)10-15-16(21-14)13(5-4-8-23)17(22-15)18(20)24/h13,15,28H,7-12H2,1-6H3,(H2,25,29)(H,26,30);12,14,24H,5-11,22H2,1-4H3;9,13-14,23-25H,5-8,10-11H2,1-4H3;12,14,23-24H,5-11H2,1-4H3;10,12,23H,4-9,20H2,1-3H3,(H2,21,24);10,12,22-23H,4-9H2,1-3H3,(H2,20,24).

What are the key properties of 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate has a molecular weight of 2176.94 g/mol, XLogP of 20.10, 28 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;tert-butyl N-[3-(7-tert-butyl-2-carbamoyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)propyl]carbamate;7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 3-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is sourced from PubChem (CID 160683506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).