3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

C129H174Br2N18O14 — CID 159727949

About 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (PubChem CID 159727949) has the molecular formula C129H174Br2N18O14 and a molecular weight of 2360.73 g/mol. Its IUPAC name is 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

Molecular Properties

• Compound Name: 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
• PubChem CID: 159727949
• Molecular Formula: C129H174Br2N18O14
• Molecular Weight: 2360.73 g/mol
• Exact Mass: 2357.18
• IUPAC Name: 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
• SMILES: CC(C)(C)C1CCc2nc3c(Br)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCC(N)=O)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCO)c(CO)[nH]c3cc2C1.CCOC(=O)c1[nH]c2cc3c(nc2c1/C=C/C(=O)OC)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1Br)CCC(C(C)(C)C)C3.Cc1[nH]c2cc3c(nc2c1CCO)CCC(C(C)(C)C)C3
• InChI: InChI=1S/C22H28N2O4.C19H26N4O2.C18H23BrN2O2.C18H25N3O2.C18H26N2O2.C18H26N2O.C16H20BrN3O/c1-6-28-21(26)20-15(8-10-18(25)27-5)19-17(24-20)12-13-11-14(22(2,3)4)7-9-16(13)23-19;1-19(2,3)11-4-6-13-10(8-11)9-14-16(22-13)12(5-7-15(20)24)17(23-14)18(21)25;1-5-23-17(22)16-14(19)15-13(21-16)9-10-8-11(18(2,3)4)6-7-12(10)20-15;1-18(2,3)11-4-5-13-10(8-11)9-14-15(20-13)12(6-7-22)16(21-14)17(19)23;1-18(2,3)12-4-5-14-11(8-12)9-15-17(20-14)13(6-7-21)16(10-22)19-15;1-11-14(7-8-21)17-16(19-11)10-12-9-13(18(2,3)4)5-6-15(12)20-17;1-16(2,3)9-4-5-10-8(6-9)7-11-13(19-10)12(17)14(20-11)15(18)21/h8,10,12,14,24H,6-7,9,11H2,1-5H3;9,11,23H,4-8H2,1-3H3,(H2,20,24)(H2,21,25);9,11,21H,5-8H2,1-4H3;9,11,21-22H,4-8H2,1-3H3,(H2,19,23);9,12,19,21-22H,4-8,10H2,1-3H3;10,13,19,21H,5-9H2,1-4H3;7,9,20H,4-6H2,1-3H3,(H2,18,21)/b10-8+
• InChIKey: NAWGZJBFLZSQIT-PLIGVPFOSA-N
• XLogP: 23.18
• TPSA: 532.94 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.73
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The IUPAC name of 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (CID 159727949) is 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

What is the SMILES notation for 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The canonical SMILES for 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is CC(C)(C)C1CCc2nc3c(Br)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCC(N)=O)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCO)c(CO)[nH]c3cc2C1.CCOC(=O)c1[nH]c2cc3c(nc2c1/C=C/C(=O)OC)CCC(C(C)(C)C)C3.CCOC(=O)c1[nH]c2cc3c(nc2c1Br)CCC(C(C)(C)C)C3.Cc1[nH]c2cc3c(nc2c1CCO)CCC(C(C)(C)C)C3.

What is the InChIKey of 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

The InChIKey is NAWGZJBFLZSQIT-PLIGVPFOSA-N. The full InChI is InChI=1S/C22H28N2O4.C19H26N4O2.C18H23BrN2O2.C18H25N3O2.C18H26N2O2.C18H26N2O.C16H20BrN3O/c1-6-28-21(26)20-15(8-10-18(25)27-5)19-17(24-20)12-13-11-14(22(2,3)4)7-9-16(13)23-19;1-19(2,3)11-4-6-13-10(8-11)9-14-16(22-13)12(5-7-15(20)24)17(23-14)18(21)25;1-5-23-17(22)16-14(19)15-13(21-16)9-10-8-11(18(2,3)4)6-7-12(10)20-15;1-18(2,3)11-4-5-13-10(8-11)9-14-15(20-13)12(6-7-22)16(21-14)17(19)23;1-18(2,3)12-4-5-14-11(8-12)9-15-17(20-14)13(6-7-21)16(10-22)19-15;1-11-14(7-8-21)17-16(19-11)10-12-9-13(18(2,3)4)5-6-15(12)20-17;1-16(2,3)9-4-5-10-8(6-9)7-11-13(19-10)12(17)14(20-11)15(18)21/h8,10,12,14,24H,6-7,9,11H2,1-5H3;9,11,23H,4-8H2,1-3H3,(H2,20,24)(H2,21,25);9,11,21H,5-8H2,1-4H3;9,11,21-22H,4-8H2,1-3H3,(H2,19,23);9,12,19,21-22H,4-8,10H2,1-3H3;10,13,19,21H,5-9H2,1-4H3;7,9,20H,4-6H2,1-3H3,(H2,18,21)/b10-8+;;;;;;.

What are the key properties of 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?

3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate has a molecular weight of 2360.73 g/mol, XLogP of 23.18, 19 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-amino-3-oxopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;2-[7-tert-butyl-2-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl]ethanol;2-(7-tert-butyl-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethanol;ethyl 3-bromo-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate;ethyl 7-tert-butyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is sourced from PubChem (CID 159727949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).