7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide

C105H144N18O8 — CID 157485896

About 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide

7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide (PubChem CID 157485896) has the molecular formula C105H144N18O8 and a molecular weight of 1786.42 g/mol. Its IUPAC name is 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide
• PubChem CID: 157485896
• Molecular Formula: C105H144N18O8
• Molecular Weight: 1786.42 g/mol
• Exact Mass: 1785.14
• IUPAC Name: 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide
• SMILES: C=CCNC(=O)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.CC(C)(C)C1CCc2nc3c(C(=O)NCCC(O)CO)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(C(=O)NCCCO)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(C(=O)NN)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(C(N)=O)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc[nH]c3cc2C1
• InChI: InChI=1S/C20H29N3O3.C19H27N3O2.C19H25N3O.C16H22N4O.C16H21N3O.C15H20N2/c1-20(2,3)13-4-5-16-12(8-13)9-17-18(23-16)15(10-22-17)19(26)21-7-6-14(25)11-24;1-19(2,3)13-5-6-15-12(9-13)10-16-17(22-15)14(11-21-16)18(24)20-7-4-8-23;1-5-8-20-18(23)14-11-21-16-10-12-9-13(19(2,3)4)6-7-15(12)22-17(14)16;1-16(2,3)10-4-5-12-9(6-10)7-13-14(19-12)11(8-18-13)15(21)20-17;1-16(2,3)10-4-5-12-9(6-10)7-13-14(19-12)11(8-18-13)15(17)20;1-15(2,3)11-4-5-12-10(8-11)9-14-13(17-12)6-7-16-14/h9-10,13-14,22,24-25H,4-8,11H2,1-3H3,(H,21,26);10-11,13,21,23H,4-9H2,1-3H3,(H,20,24);5,10-11,13,21H,1,6-9H2,2-4H3,(H,20,23);7-8,10,18H,4-6,17H2,1-3H3,(H,20,21);7-8,10,18H,4-6H2,1-3H3,(H2,17,20);6-7,9,11,16H,4-5,8H2,1-3H3
• InChIKey: BWSBEAXXEPEIPI-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 418.28 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1786.42
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide?

The IUPAC name of 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide (CID 157485896) is 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide.

What is the SMILES notation for 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide?

The canonical SMILES for 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide is C=CCNC(=O)c1c[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.CC(C)(C)C1CCc2nc3c(C(=O)NCCC(O)CO)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(C(=O)NCCCO)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(C(=O)NN)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(C(N)=O)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc[nH]c3cc2C1.

What is the InChIKey of 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide?

The InChIKey is BWSBEAXXEPEIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.C19H27N3O2.C19H25N3O.C16H22N4O.C16H21N3O.C15H20N2/c1-20(2,3)13-4-5-16-12(8-13)9-17-18(23-16)15(10-22-17)19(26)21-7-6-14(25)11-24;1-19(2,3)13-5-6-15-12(9-13)10-16-17(22-15)14(11-21-16)18(24)20-7-4-8-23;1-5-8-20-18(23)14-11-21-16-10-12-9-13(19(2,3)4)6-7-15(12)22-17(14)16;1-16(2,3)10-4-5-12-9(6-10)7-13-14(19-12)11(8-18-13)15(21)20-17;1-16(2,3)10-4-5-12-9(6-10)7-13-14(19-12)11(8-18-13)15(17)20;1-15(2,3)11-4-5-12-10(8-11)9-14-13(17-12)6-7-16-14/h9-10,13-14,22,24-25H,4-8,11H2,1-3H3,(H,21,26);10-11,13,21,23H,4-9H2,1-3H3,(H,20,24);5,10-11,13,21H,1,6-9H2,2-4H3,(H,20,23);7-8,10,18H,4-6,17H2,1-3H3,(H,20,21);7-8,10,18H,4-6H2,1-3H3,(H2,17,20);6-7,9,11,16H,4-5,8H2,1-3H3.

What are the key properties of 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide?

7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide has a molecular weight of 1786.42 g/mol, XLogP of 17.49, 14 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-N-(3,4-dihydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide is sourced from PubChem (CID 157485896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).