N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol

C162H212N28O10 — CID 161090649

IUPACN-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)NCc4ccccc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCc4cccnc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CO)[nH]c3cc2C1.CC(C)(C)[C@@H]1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CC(C)(C)[C@H]1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CNC(=O)c1cc2nc3c(cc2[nH]1)C[C@@H](C(C)(C)C)CC3.CNC(=O)c1cc2nc3c(cc2[nH]1)C[C@H](C(C)(C)C)CC3.C[C@@H](CO)NC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
InChIInChI=1S/C23H27N3O.C22H26N4O.C19H27N3O2.2C17H23N3O.C16H22N4O.2C16H21N3O.C16H22N2O/c1-23(2,3)17-9-10-18-16(11-17)12-19-20(25-18)13-21(26-19)22(27)24-14-15-7-5-4-6-8-15;1-22(2,3)16-6-7-17-15(9-16)10-18-19(25-17)11-20(26-18)21(27)24-13-14-5-4-8-23-12-14;1-11(10-23)20-18(24)17-9-16-15(22-17)8-12-7-13(19(2,3)4)5-6-14(12)21-16;2*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(21)20-17;2*1-16(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(17)20;1-16(2,3)11-4-5-13-10(6-11)7-14-15(18-13)8-12(9-19)17-14/h4-8,12-13,17,26H,9-11,14H2,1-3H3,(H,24,27);4-5,8,10-12,16,26H,6-7,9,13H2,1-3H3,(H,24,27);8-9,11,13,22-23H,5-7,10H2,1-4H3,(H,20,24);2*8-9,11,20H,5-7H2,1-4H3,(H,18,21);7-8,10,19H,4-6,17H2,1-3H3,(H,20,21);2*7-8,10,19H,4-6H2,1-3H3,(H2,17,20);7-8,11,17,19H,4-6,9H2,1-3H3/t;;11-,13?;2*11-;;2*10-;/m..010.10./s1
InChIKeyUHCWLBPHQQBLSD-HAQCRQRRSA-N
MW2711.66 g/mol
LogP28.80
Rot. Bonds15

About N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol

N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol (PubChem CID 161090649) has the molecular formula C162H212N28O10 and a molecular weight of 2711.66 g/mol. Its IUPAC name is N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol.

Molecular Properties

Compound NameN-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol
PubChem CID161090649
Molecular FormulaC162H212N28O10
Molecular Weight2711.66 g/mol
Exact Mass2709.69
IUPAC NameN-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)NCc4ccccc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCc4cccnc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CO)[nH]c3cc2C1.CC(C)(C)[C@@H]1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CC(C)(C)[C@H]1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CNC(=O)c1cc2nc3c(cc2[nH]1)C[C@@H](C(C)(C)C)CC3.CNC(=O)c1cc2nc3c(cc2[nH]1)C[C@H](C(C)(C)C)CC3.C[C@@H](CO)NC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
InChIInChI=1S/C23H27N3O.C22H26N4O.C19H27N3O2.2C17H23N3O.C16H22N4O.2C16H21N3O.C16H22N2O/c1-23(2,3)17-9-10-18-16(11-17)12-19-20(25-18)13-21(26-19)22(27)24-14-15-7-5-4-6-8-15;1-22(2,3)16-6-7-17-15(9-16)10-18-19(25-17)11-20(26-18)21(27)24-13-14-5-4-8-23-12-14;1-11(10-23)20-18(24)17-9-16-15(22-17)8-12-7-13(19(2,3)4)5-6-14(12)21-16;2*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(21)20-17;2*1-16(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(17)20;1-16(2,3)11-4-5-13-10(6-11)7-14-15(18-13)8-12(9-19)17-14/h4-8,12-13,17,26H,9-11,14H2,1-3H3,(H,24,27);4-5,8,10-12,16,26H,6-7,9,13H2,1-3H3,(H,24,27);8-9,11,13,22-23H,5-7,10H2,1-4H3,(H,20,24);2*8-9,11,20H,5-7H2,1-4H3,(H,18,21);7-8,10,19H,4-6,17H2,1-3H3,(H,20,21);2*7-8,10,19H,4-6H2,1-3H3,(H2,17,20);7-8,11,17,19H,4-6,9H2,1-3H3/t;;11-,13?;2*11-;;2*10-;/m..010.10./s1
InChIKeyUHCWLBPHQQBLSD-HAQCRQRRSA-N
XLogP28.80
TPSA598.27 Ų
H-Bond Donors20
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002711.66
LogP ≤ 528.80
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol?
The IUPAC name of N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol (CID 161090649) is N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol.
What is the SMILES notation for N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol?
The canonical SMILES for N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol is CC(C)(C)C1CCc2nc3cc(C(=O)NCc4ccccc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NCc4cccnc4)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C(=O)NN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CO)[nH]c3cc2C1.CC(C)(C)[C@@H]1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CC(C)(C)[C@H]1CCc2nc3cc(C(N)=O)[nH]c3cc2C1.CNC(=O)c1cc2nc3c(cc2[nH]1)C[C@@H](C(C)(C)C)CC3.CNC(=O)c1cc2nc3c(cc2[nH]1)C[C@H](C(C)(C)C)CC3.C[C@@H](CO)NC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.
What is the InChIKey of N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol?
The InChIKey is UHCWLBPHQQBLSD-HAQCRQRRSA-N. The full InChI is InChI=1S/C23H27N3O.C22H26N4O.C19H27N3O2.2C17H23N3O.C16H22N4O.2C16H21N3O.C16H22N2O/c1-23(2,3)17-9-10-18-16(11-17)12-19-20(25-18)13-21(26-19)22(27)24-14-15-7-5-4-6-8-15;1-22(2,3)16-6-7-17-15(9-16)10-18-19(25-17)11-20(26-18)21(27)24-13-14-5-4-8-23-12-14;1-11(10-23)20-18(24)17-9-16-15(22-17)8-12-7-13(19(2,3)4)5-6-14(12)21-16;2*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(21)20-17;2*1-16(2,3)10-4-5-11-9(6-10)7-12-13(18-11)8-14(19-12)15(17)20;1-16(2,3)11-4-5-13-10(6-11)7-14-15(18-13)8-12(9-19)17-14/h4-8,12-13,17,26H,9-11,14H2,1-3H3,(H,24,27);4-5,8,10-12,16,26H,6-7,9,13H2,1-3H3,(H,24,27);8-9,11,13,22-23H,5-7,10H2,1-4H3,(H,20,24);2*8-9,11,20H,5-7H2,1-4H3,(H,18,21);7-8,10,19H,4-6,17H2,1-3H3,(H,20,21);2*7-8,10,19H,4-6H2,1-3H3,(H2,17,20);7-8,11,17,19H,4-6,9H2,1-3H3/t;;11-,13?;2*11-;;2*10-;/m..010.10./s1.
What are the key properties of N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol?
N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol has a molecular weight of 2711.66 g/mol, XLogP of 28.80, 15 rotatable bonds, 20 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-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-carbohydrazide;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-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]quinolin-2-yl)methanol is sourced from PubChem (CID 161090649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).