7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate

C127H175ClN20O16S — CID 160634354

About 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate

7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate (PubChem CID 160634354) has the molecular formula C127H175ClN20O16S and a molecular weight of 2305.44 g/mol. Its IUPAC name is 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate.

Molecular Properties

• Compound Name: 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate
• PubChem CID: 160634354
• Molecular Formula: C127H175ClN20O16S
• Molecular Weight: 2305.44 g/mol
• Exact Mass: 2303.29
• IUPAC Name: 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate
• SMILES: CC(C)(C)C1CCc2nc3c(C(=O)NCCO)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(NCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(NS(C)(=O)=O)c(C(N)=O)[nH]c3cc2C1.CCOC(=O)c1[nH]c2cc3c(nc2c1NCCCO)CCC(C(C)(C)C)C3.CCOC(=O)c1c(Cl)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.CCOC(=O)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.COC(=O)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
• InChI: InChI=1S/C21H31N3O3.C18H23ClN2O2.C18H26N4O2.C18H25N3O2.C18H24N2O2.C17H24N4O3S.C17H22N2O2/c1-5-27-20(26)19-18(22-9-6-10-25)17-16(24-19)12-13-11-14(21(2,3)4)7-8-15(13)23-17;1-5-23-17(22)14-15-13(21-16(14)19)9-10-8-11(18(2,3)4)6-7-12(10)20-15;1-18(2,3)11-4-5-12-10(8-11)9-13-14(21-12)15(20-6-7-23)16(22-13)17(19)24;1-18(2,3)12-4-5-14-11(8-12)9-15-16(21-14)13(10-20-15)17(23)19-6-7-22;1-5-22-17(21)13-10-19-15-9-11-8-12(18(2,3)4)6-7-14(11)20-16(13)15;1-17(2,3)10-5-6-11-9(7-10)8-12-13(19-11)14(21-25(4,23)24)15(20-12)16(18)22;1-17(2,3)11-5-6-13-10(7-11)8-14-15(19-13)12(9-18-14)16(20)21-4/h12,14,22,24-25H,5-11H2,1-4H3;9,11,21H,5-8H2,1-4H3;9,11,20,22-23H,4-8H2,1-3H3,(H2,19,24);9-10,12,20,22H,4-8H2,1-3H3,(H,19,23);9-10,12,19H,5-8H2,1-4H3;8,10,20-21H,5-7H2,1-4H3,(H2,18,22);8-9,11,18H,5-7H2,1-4H3
• InChIKey: RIIPHKRXYQVURV-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 552.16 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2305.44
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

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 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate?

The IUPAC name of 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate (CID 160634354) is 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate.

What is the SMILES notation for 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate?

The canonical SMILES for 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate is CC(C)(C)C1CCc2nc3c(C(=O)NCCO)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(NCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(NS(C)(=O)=O)c(C(N)=O)[nH]c3cc2C1.CCOC(=O)c1[nH]c2cc3c(nc2c1NCCCO)CCC(C(C)(C)C)C3.CCOC(=O)c1c(Cl)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.CCOC(=O)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.COC(=O)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.

What is the InChIKey of 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate?

The InChIKey is RIIPHKRXYQVURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.C18H23ClN2O2.C18H26N4O2.C18H25N3O2.C18H24N2O2.C17H24N4O3S.C17H22N2O2/c1-5-27-20(26)19-18(22-9-6-10-25)17-16(24-19)12-13-11-14(21(2,3)4)7-8-15(13)23-17;1-5-23-17(22)14-15-13(21-16(14)19)9-10-8-11(18(2,3)4)6-7-12(10)20-15;1-18(2,3)11-4-5-12-10(8-11)9-13-14(21-12)15(20-6-7-23)16(22-13)17(19)24;1-18(2,3)12-4-5-14-11(8-12)9-15-16(21-14)13(10-20-15)17(23)19-6-7-22;1-5-22-17(21)13-10-19-15-9-11-8-12(18(2,3)4)6-7-14(11)20-16(13)15;1-17(2,3)10-5-6-11-9(7-10)8-12-13(19-11)14(21-25(4,23)24)15(20-12)16(18)22;1-17(2,3)11-5-6-13-10(7-11)8-14-15(19-13)12(9-18-14)16(20)21-4/h12,14,22,24-25H,5-11H2,1-4H3;9,11,21H,5-8H2,1-4H3;9,11,20,22-23H,4-8H2,1-3H3,(H2,19,24);9-10,12,20,22H,4-8H2,1-3H3,(H,19,23);9-10,12,19H,5-8H2,1-4H3;8,10,20-21H,5-7H2,1-4H3,(H2,18,22);8-9,11,18H,5-7H2,1-4H3.

What are the key properties of 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate?

7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate has a molecular weight of 2305.44 g/mol, XLogP of 22.46, 21 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-3-(methanesulfonamido)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-2-chloro-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate;ethyl 7-tert-butyl-3-(3-hydroxypropylamino)-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-3-carboxylate;methyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate is sourced from PubChem (CID 160634354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).