N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

C163H229N29O12 — CID 161137145

IUPACN-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)NCCCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCCO)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCO)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CCNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CCOC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
InChIInChI=1S/C20H30N4O.C19H28N4O.C19H27N3O2.C18H26N4O.C18H25N3O2.C18H25N3O.C18H24N2O2.C17H23N3O.C16H21N3O/c1-20(2,3)14-6-7-15-13(10-14)11-16-17(23-15)12-18(24-16)19(25)22-9-5-4-8-21;1-19(2,3)13-5-6-14-12(9-13)10-15-16(22-14)11-17(23-15)18(24)21-8-4-7-20;1-19(2,3)13-5-6-14-12(9-13)10-15-16(21-14)11-17(22-15)18(24)20-7-4-8-23;1-18(2,3)12-4-5-13-11(8-12)9-14-15(21-13)10-16(22-14)17(23)20-7-6-19;1-18(2,3)12-4-5-13-11(8-12)9-14-15(20-13)10-16(21-14)17(23)19-6-7-22;1-5-19-17(22)16-10-15-14(21-16)9-11-8-12(18(2,3)4)6-7-13(11)20-15;1-5-22-17(21)16-10-15-14(20-16)9-11-8-12(18(2,3)4)6-7-13(11)19-15;1-17(2,3)11-5-6-12-10(7-11)8-13-14(19-12)9-15(20-13)16(21)18-4;1-16(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(17)20/h11-12,14,24H,4-10,21H2,1-3H3,(H,22,25);10-11,13,23H,4-9,20H2,1-3H3,(H,21,24);10-11,13,22-23H,4-9H2,1-3H3,(H,20,24);9-10,12,22H,4-8,19H2,1-3H3,(H,20,23);9-10,12,21-22H,4-8H2,1-3H3,(H,19,23);9-10,12,21H,5-8H2,1-4H3,(H,19,22);9-10,12,20H,5-8H2,1-4H3;8-9,11,20H,5-7H2,1-4H3,(H,18,21);7-8,10,19H,4-6H2,1-3H3,(H2,17,20)
InChIKeyUMYHOQCYAMWZHO-UHFFFAOYSA-N
MW2786.82 g/mol
LogP26.88
Rot. Bonds25

About N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (PubChem CID 161137145) has the molecular formula C163H229N29O12 and a molecular weight of 2786.82 g/mol. Its IUPAC name is N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

Molecular Properties

Compound NameN-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
PubChem CID161137145
Molecular FormulaC163H229N29O12
Molecular Weight2786.82 g/mol
Exact Mass2784.82
IUPAC NameN-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)NCCCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCCO)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCO)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CCNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CCOC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
InChIInChI=1S/C20H30N4O.C19H28N4O.C19H27N3O2.C18H26N4O.C18H25N3O2.C18H25N3O.C18H24N2O2.C17H23N3O.C16H21N3O/c1-20(2,3)14-6-7-15-13(10-14)11-16-17(23-15)12-18(24-16)19(25)22-9-5-4-8-21;1-19(2,3)13-5-6-14-12(9-13)10-15-16(22-14)11-17(23-15)18(24)21-8-4-7-20;1-19(2,3)13-5-6-14-12(9-13)10-15-16(21-14)11-17(22-15)18(24)20-7-4-8-23;1-18(2,3)12-4-5-13-11(8-12)9-14-15(21-13)10-16(22-14)17(23)20-7-6-19;1-18(2,3)12-4-5-13-11(8-12)9-14-15(20-13)10-16(21-14)17(23)19-6-7-22;1-5-19-17(22)16-10-15-14(21-16)9-11-8-12(18(2,3)4)6-7-13(11)20-15;1-5-22-17(21)16-10-15-14(20-16)9-11-8-12(18(2,3)4)6-7-13(11)19-15;1-17(2,3)11-5-6-12-10(7-11)8-13-14(19-12)9-15(20-13)16(21)18-4;1-16(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(17)20/h11-12,14,24H,4-10,21H2,1-3H3,(H,22,25);10-11,13,23H,4-9,20H2,1-3H3,(H,21,24);10-11,13,22-23H,4-9H2,1-3H3,(H,20,24);9-10,12,22H,4-8,19H2,1-3H3,(H,20,23);9-10,12,21-22H,4-8H2,1-3H3,(H,19,23);9-10,12,21H,5-8H2,1-4H3,(H,19,22);9-10,12,20H,5-8H2,1-4H3;8-9,11,20H,5-7H2,1-4H3,(H,18,21);7-8,10,19H,4-6H2,1-3H3,(H2,17,20)
InChIKeyUMYHOQCYAMWZHO-UHFFFAOYSA-N
XLogP26.88
TPSA649.73 Ų
H-Bond Donors22
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002786.82
LogP ≤ 526.88
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The IUPAC name of N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (CID 161137145) is N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.
What is the SMILES notation for N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The canonical SMILES for N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is CC(C)(C)C1CCc2nc3cc(C(=O)NCCCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCCO)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCCO)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CCNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CCOC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.
What is the InChIKey of N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The InChIKey is UMYHOQCYAMWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.C19H28N4O.C19H27N3O2.C18H26N4O.C18H25N3O2.C18H25N3O.C18H24N2O2.C17H23N3O.C16H21N3O/c1-20(2,3)14-6-7-15-13(10-14)11-16-17(23-15)12-18(24-16)19(25)22-9-5-4-8-21;1-19(2,3)13-5-6-14-12(9-13)10-15-16(22-14)11-17(23-15)18(24)21-8-4-7-20;1-19(2,3)13-5-6-14-12(9-13)10-15-16(21-14)11-17(22-15)18(24)20-7-4-8-23;1-18(2,3)12-4-5-13-11(8-12)9-14-15(21-13)10-16(22-14)17(23)20-7-6-19;1-18(2,3)12-4-5-13-11(8-12)9-14-15(20-13)10-16(21-14)17(23)19-6-7-22;1-5-19-17(22)16-10-15-14(21-16)9-11-8-12(18(2,3)4)6-7-13(11)20-15;1-5-22-17(21)16-10-15-14(20-16)9-11-8-12(18(2,3)4)6-7-13(11)19-15;1-17(2,3)11-5-6-12-10(7-11)8-13-14(19-12)9-15(20-13)16(21)18-4;1-16(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(17)20/h11-12,14,24H,4-10,21H2,1-3H3,(H,22,25);10-11,13,23H,4-9,20H2,1-3H3,(H,21,24);10-11,13,22-23H,4-9H2,1-3H3,(H,20,24);9-10,12,22H,4-8,19H2,1-3H3,(H,20,23);9-10,12,21-22H,4-8H2,1-3H3,(H,19,23);9-10,12,21H,5-8H2,1-4H3,(H,19,22);9-10,12,20H,5-8H2,1-4H3;8-9,11,20H,5-7H2,1-4H3,(H,18,21);7-8,10,19H,4-6H2,1-3H3,(H2,17,20).
What are the key properties of N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate has a molecular weight of 2786.82 g/mol, XLogP of 26.88, 25 rotatable bonds, 22 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;N-(3-aminopropyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-ethyl-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-2-carboxamide;7-tert-butyl-N-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is sourced from PubChem (CID 161137145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).