7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate

C181H222N42O11 — CID 158978907

IUPAC7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate
SMILESCC(C)(C)C1CCc2nc3c(C(=O)Nc4ncccn4)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNCCC#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNc4ccccc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNc4ccccn4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)Nc4ccncc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)Nc4nn[nH]n4)[nH]c3cc2C1.CCOC(=O)c1cc(NC(=O)c2cc3nc4c(cc3[nH]2)CC(C(C)(C)C)CC4)c[nH]1.CNNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.Cc1cc(C)n(C(=O)c2c[nH]c3cc4c(nc23)CCC(C(C)(C)C)C4)n1
InChIInChI=1S/C23H28N4O3.C22H26N4O.C21H25N5O.C21H26N4O.C21H24N4O.C20H23N5O.C19H25N5O.C17H21N7O.C17H24N4O/c1-5-30-22(29)20-10-15(12-24-20)25-21(28)19-11-18-17(27-19)9-13-8-14(23(2,3)4)6-7-16(13)26-18;1-22(2,3)15-9-10-17-14(11-15)12-18-19(23-17)13-20(24-18)21(27)26-25-16-7-5-4-6-8-16;1-21(2,3)14-7-8-15-13(10-14)11-16-17(23-15)12-18(24-16)20(27)26-25-19-6-4-5-9-22-19;1-12-8-13(2)25(24-12)20(26)16-11-22-18-10-14-9-15(21(3,4)5)6-7-17(14)23-19(16)18;1-21(2,3)14-4-5-16-13(10-14)11-17-18(24-16)12-19(25-17)20(26)23-15-6-8-22-9-7-15;1-20(2,3)13-5-6-15-12(9-13)10-16-17(24-15)14(11-23-16)18(26)25-19-21-7-4-8-22-19;1-19(2,3)13-5-6-14-12(9-13)10-15-16(22-14)11-17(23-15)18(25)24-21-8-4-7-20;1-17(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(25)20-16-21-23-24-22-16;1-17(2,3)11-5-6-12-10(7-11)8-13-14(19-12)9-15(20-13)16(22)21-18-4/h9-12,14,24,27H,5-8H2,1-4H3,(H,25,28);4-8,12-13,15,24-25H,9-11H2,1-3H3,(H,26,27);4-6,9,11-12,14,24H,7-8,10H2,1-3H3,(H,22,25)(H,26,27);8,10-11,15,22H,6-7,9H2,1-5H3;6-9,11-12,14,25H,4-5,10H2,1-3H3,(H,22,23,26);4,7-8,10-11,13,23H,5-6,9H2,1-3H3,(H,21,22,25,26);10-11,13,21,23H,4-6,8-9H2,1-3H3,(H,24,25);7-8,10,19H,4-6H2,1-3H3,(H2,20,21,22,23,24,25);8-9,11,18,20H,5-7H2,1-4H3,(H,21,22)
InChIKeyJOSZLNPQWPSNFN-UHFFFAOYSA-N
MW3162.05 g/mol
LogP33.06
Rot. Bonds23

About 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate

7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate (PubChem CID 158978907) has the molecular formula C181H222N42O11 and a molecular weight of 3162.05 g/mol. Its IUPAC name is 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate
PubChem CID158978907
Molecular FormulaC181H222N42O11
Molecular Weight3162.05 g/mol
Exact Mass3159.81
IUPAC Name7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate
SMILESCC(C)(C)C1CCc2nc3c(C(=O)Nc4ncccn4)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNCCC#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNc4ccccc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNc4ccccn4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)Nc4ccncc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)Nc4nn[nH]n4)[nH]c3cc2C1.CCOC(=O)c1cc(NC(=O)c2cc3nc4c(cc3[nH]2)CC(C(C)(C)C)CC4)c[nH]1.CNNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.Cc1cc(C)n(C(=O)c2c[nH]c3cc4c(nc23)CCC(C(C)(C)C)C4)n1
InChIInChI=1S/C23H28N4O3.C22H26N4O.C21H25N5O.C21H26N4O.C21H24N4O.C20H23N5O.C19H25N5O.C17H21N7O.C17H24N4O/c1-5-30-22(29)20-10-15(12-24-20)25-21(28)19-11-18-17(27-19)9-13-8-14(23(2,3)4)6-7-16(13)26-18;1-22(2,3)15-9-10-17-14(11-15)12-18-19(23-17)13-20(24-18)21(27)26-25-16-7-5-4-6-8-16;1-21(2,3)14-7-8-15-13(10-14)11-16-17(23-15)12-18(24-16)20(27)26-25-19-6-4-5-9-22-19;1-12-8-13(2)25(24-12)20(26)16-11-22-18-10-14-9-15(21(3,4)5)6-7-17(14)23-19(16)18;1-21(2,3)14-4-5-16-13(10-14)11-17-18(24-16)12-19(25-17)20(26)23-15-6-8-22-9-7-15;1-20(2,3)13-5-6-15-12(9-13)10-16-17(24-15)14(11-23-16)18(26)25-19-21-7-4-8-22-19;1-19(2,3)13-5-6-14-12(9-13)10-15-16(22-14)11-17(23-15)18(25)24-21-8-4-7-20;1-17(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(25)20-16-21-23-24-22-16;1-17(2,3)11-5-6-12-10(7-11)8-13-14(19-12)9-15(20-13)16(22)21-18-4/h9-12,14,24,27H,5-8H2,1-4H3,(H,25,28);4-8,12-13,15,24-25H,9-11H2,1-3H3,(H,26,27);4-6,9,11-12,14,24H,7-8,10H2,1-3H3,(H,22,25)(H,26,27);8,10-11,15,22H,6-7,9H2,1-5H3;6-9,11-12,14,25H,4-5,10H2,1-3H3,(H,22,23,26);4,7-8,10-11,13,23H,5-6,9H2,1-3H3,(H,21,22,25,26);10-11,13,21,23H,4-6,8-9H2,1-3H3,(H,24,25);7-8,10,19H,4-6H2,1-3H3,(H2,20,21,22,23,24,25);8-9,11,18,20H,5-7H2,1-4H3,(H,21,22)
InChIKeyJOSZLNPQWPSNFN-UHFFFAOYSA-N
XLogP33.06
TPSA745.83 Ų
H-Bond Donors23
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003162.05
LogP ≤ 533.06
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate (CID 158978907) is 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate is CC(C)(C)C1CCc2nc3c(C(=O)Nc4ncccn4)c[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNCCC#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNc4ccccc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NNc4ccccn4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)Nc4ccncc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)Nc4nn[nH]n4)[nH]c3cc2C1.CCOC(=O)c1cc(NC(=O)c2cc3nc4c(cc3[nH]2)CC(C(C)(C)C)CC4)c[nH]1.CNNC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.Cc1cc(C)n(C(=O)c2c[nH]c3cc4c(nc23)CCC(C(C)(C)C)C4)n1.
What is the InChIKey of 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The InChIKey is JOSZLNPQWPSNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.C22H26N4O.C21H25N5O.C21H26N4O.C21H24N4O.C20H23N5O.C19H25N5O.C17H21N7O.C17H24N4O/c1-5-30-22(29)20-10-15(12-24-20)25-21(28)19-11-18-17(27-19)9-13-8-14(23(2,3)4)6-7-16(13)26-18;1-22(2,3)15-9-10-17-14(11-15)12-18-19(23-17)13-20(24-18)21(27)26-25-16-7-5-4-6-8-16;1-21(2,3)14-7-8-15-13(10-14)11-16-17(23-15)12-18(24-16)20(27)26-25-19-6-4-5-9-22-19;1-12-8-13(2)25(24-12)20(26)16-11-22-18-10-14-9-15(21(3,4)5)6-7-17(14)23-19(16)18;1-21(2,3)14-4-5-16-13(10-14)11-17-18(24-16)12-19(25-17)20(26)23-15-6-8-22-9-7-15;1-20(2,3)13-5-6-15-12(9-13)10-16-17(24-15)14(11-23-16)18(26)25-19-21-7-4-8-22-19;1-19(2,3)13-5-6-14-12(9-13)10-15-16(22-14)11-17(23-15)18(25)24-21-8-4-7-20;1-17(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(25)20-16-21-23-24-22-16;1-17(2,3)11-5-6-12-10(7-11)8-13-14(19-12)9-15(20-13)16(22)21-18-4/h9-12,14,24,27H,5-8H2,1-4H3,(H,25,28);4-8,12-13,15,24-25H,9-11H2,1-3H3,(H,26,27);4-6,9,11-12,14,24H,7-8,10H2,1-3H3,(H,22,25)(H,26,27);8,10-11,15,22H,6-7,9H2,1-5H3;6-9,11-12,14,25H,4-5,10H2,1-3H3,(H,22,23,26);4,7-8,10-11,13,23H,5-6,9H2,1-3H3,(H,21,22,25,26);10-11,13,21,23H,4-6,8-9H2,1-3H3,(H,24,25);7-8,10,19H,4-6H2,1-3H3,(H2,20,21,22,23,24,25);8-9,11,18,20H,5-7H2,1-4H3,(H,21,22).
What are the key properties of 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate?
7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate has a molecular weight of 3162.05 g/mol, XLogP of 33.06, 23 rotatable bonds, 23 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N'-(2-cyanoethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N'-pyridin-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-N-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-pyrimidin-2-yl-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]quinolin-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone;7-tert-butyl-N-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;ethyl 4-[(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonyl)amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 158978907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).