7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

C101H139N15O11 — CID 160694470

About 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (PubChem CID 160694470) has the molecular formula C101H139N15O11 and a molecular weight of 1739.32 g/mol. Its IUPAC name is 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
• PubChem CID: 160694470
• Molecular Formula: C101H139N15O11
• Molecular Weight: 1739.32 g/mol
• Exact Mass: 1738.08
• IUPAC Name: 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
• SMILES: CC(C)(C)C1CCc2nc3c(C#CCCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(C#CCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CC(O)CO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCCCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCCCO)c(C(N)=O)[nH]c3cc2C1
• InChI: InChI=1S/C21H31N3O2.C21H27N3O2.C20H29N3O2.C20H25N3O2.C19H27N3O3/c2*1-21(2,3)14-8-9-16-13(11-14)12-17-18(23-16)15(7-5-4-6-10-25)19(24-17)20(22)26;2*1-20(2,3)13-7-8-15-12(10-13)11-16-17(22-15)14(6-4-5-9-24)18(23-16)19(21)25;1-19(2,3)11-4-5-14-10(6-11)7-15-16(21-14)13(8-12(24)9-23)17(22-15)18(20)25/h12,14,24-25H,4-11H2,1-3H3,(H2,22,26);12,14,24-25H,4,6,8-11H2,1-3H3,(H2,22,26);11,13,23-24H,4-10H2,1-3H3,(H2,21,25);11,13,23-24H,5,7-10H2,1-3H3,(H2,21,25);7,11-12,22-24H,4-6,8-9H2,1-3H3,(H2,20,25)
• InChIKey: RPVBNUOUOAJAAL-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 480.23 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1739.32
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?

The IUPAC name of 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (CID 160694470) is 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.

What is the SMILES notation for 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?

The canonical SMILES for 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is CC(C)(C)C1CCc2nc3c(C#CCCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(C#CCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CC(O)CO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCCCCO)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c(CCCCO)c(C(N)=O)[nH]c3cc2C1.

What is the InChIKey of 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?

The InChIKey is RPVBNUOUOAJAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.C21H27N3O2.C20H29N3O2.C20H25N3O2.C19H27N3O3/c2*1-21(2,3)14-8-9-16-13(11-14)12-17-18(23-16)15(7-5-4-6-10-25)19(24-17)20(22)26;2*1-20(2,3)13-7-8-15-12(10-13)11-16-17(22-15)14(6-4-5-9-24)18(23-16)19(21)25;1-19(2,3)11-4-5-14-10(6-11)7-15-16(21-14)13(8-12(24)9-23)17(22-15)18(20)25/h12,14,24-25H,4-11H2,1-3H3,(H2,22,26);12,14,24-25H,4,6,8-11H2,1-3H3,(H2,22,26);11,13,23-24H,4-10H2,1-3H3,(H2,21,25);11,13,23-24H,5,7-10H2,1-3H3,(H2,21,25);7,11-12,22-24H,4-6,8-9H2,1-3H3,(H2,20,25).

What are the key properties of 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?

7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide has a molecular weight of 1739.32 g/mol, XLogP of 13.84, 20 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybutyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(4-hydroxybut-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypentyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-3-(5-hydroxypent-1-ynyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is sourced from PubChem (CID 160694470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).