3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate

C172H222N28O9 — CID 172984778

IUPAC3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate
SMILESC/C(=N\O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.C=Cc1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CC(C)(C)C1CCc2nc3c(N)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c([N+](=O)[O-])c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CC#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(COC(=O)c4ccccc4)[nH]c3cc2C1.CC(O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
InChIInChI=1S/C23H26N2O2.C17H23N3O.C17H21N3.C17H24N2O.C17H22N2O.C17H22N2.C16H20N4O3.C16H22N4O.C16H23N3.C16H19N3/c1-23(2,3)17-9-10-19-16(11-17)12-20-21(25-19)13-18(24-20)14-27-22(26)15-7-5-4-6-8-15;1-10(20-21)14-9-16-15(19-14)8-11-7-12(17(2,3)4)5-6-13(11)18-16;1-17(2,3)12-4-5-14-11(8-12)9-15-16(20-14)10-13(19-15)6-7-18;2*1-10(20)14-9-16-15(19-14)8-11-7-12(17(2,3)4)5-6-13(11)18-16;1-5-13-10-16-15(18-13)9-11-8-12(17(2,3)4)6-7-14(11)19-16;1-16(2,3)9-4-5-10-8(6-9)7-11-12(18-10)14(20(22)23)13(19-11)15(17)21;1-16(2,3)9-4-5-10-8(6-9)7-11-13(19-10)12(17)14(20-11)15(18)21;2*1-16(2,3)11-4-5-13-10(6-11)7-14-15(19-13)8-12(9-17)18-14/h4-8,12-13,17,24H,9-11,14H2,1-3H3;8-9,12,19,21H,5-7H2,1-4H3;9-10,12,19H,4-6,8H2,1-3H3;8-10,12,19-20H,5-7H2,1-4H3;8-9,12,19H,5-7H2,1-4H3;5,9-10,12,18H,1,6-8H2,2-4H3;7,9,19H,4-6H2,1-3H3,(H2,17,21);7,9,20H,4-6,17H2,1-3H3,(H2,18,21);7-8,11,18H,4-6,9,17H2,1-3H3;7-8,11,18H,4-6H2,1-3H3/b;20-10+;;;;;;;;
InChIKeyQCWSKMNBGAEANN-GWPVCSCYSA-N
MW2825.85 g/mol
LogP36.68
Rot. Bonds12

About 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate

3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate (PubChem CID 172984778) has the molecular formula C172H222N28O9 and a molecular weight of 2825.85 g/mol. Its IUPAC name is 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate.

Molecular Properties

Compound Name3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate
PubChem CID172984778
Molecular FormulaC172H222N28O9
Molecular Weight2825.85 g/mol
Exact Mass2823.78
IUPAC Name3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate
SMILESC/C(=N\O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.C=Cc1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CC(C)(C)C1CCc2nc3c(N)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c([N+](=O)[O-])c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CC#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(COC(=O)c4ccccc4)[nH]c3cc2C1.CC(O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
InChIInChI=1S/C23H26N2O2.C17H23N3O.C17H21N3.C17H24N2O.C17H22N2O.C17H22N2.C16H20N4O3.C16H22N4O.C16H23N3.C16H19N3/c1-23(2,3)17-9-10-19-16(11-17)12-20-21(25-19)13-18(24-20)14-27-22(26)15-7-5-4-6-8-15;1-10(20-21)14-9-16-15(19-14)8-11-7-12(17(2,3)4)5-6-13(11)18-16;1-17(2,3)12-4-5-14-11(8-12)9-15-16(20-14)10-13(19-15)6-7-18;2*1-10(20)14-9-16-15(19-14)8-11-7-12(17(2,3)4)5-6-13(11)18-16;1-5-13-10-16-15(18-13)9-11-8-12(17(2,3)4)6-7-14(11)19-16;1-16(2,3)9-4-5-10-8(6-9)7-11-12(18-10)14(20(22)23)13(19-11)15(17)21;1-16(2,3)9-4-5-10-8(6-9)7-11-13(19-10)12(17)14(20-11)15(18)21;2*1-16(2,3)11-4-5-13-10(6-11)7-14-15(19-13)8-12(9-17)18-14/h4-8,12-13,17,24H,9-11,14H2,1-3H3;8-9,12,19,21H,5-7H2,1-4H3;9-10,12,19H,4-6,8H2,1-3H3;8-10,12,19-20H,5-7H2,1-4H3;8-9,12,19H,5-7H2,1-4H3;5,9-10,12,18H,1,6-8H2,2-4H3;7,9,19H,4-6H2,1-3H3,(H2,17,21);7,9,20H,4-6,17H2,1-3H3,(H2,18,21);7-8,11,18H,4-6,9,17H2,1-3H3;7-8,11,18H,4-6H2,1-3H3/b;20-10+;;;;;;;;
InChIKeyQCWSKMNBGAEANN-GWPVCSCYSA-N
XLogP36.68
TPSA611.93 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002825.85
LogP ≤ 536.68
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate 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 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate?
The IUPAC name of 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate (CID 172984778) is 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate.
What is the SMILES notation for 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate?
The canonical SMILES for 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate is C/C(=N\O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.C=Cc1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.CC(C)(C)C1CCc2nc3c(N)c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3c([N+](=O)[O-])c(C(N)=O)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(C#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CC#N)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(CN)[nH]c3cc2C1.CC(C)(C)C1CCc2nc3cc(COC(=O)c4ccccc4)[nH]c3cc2C1.CC(O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.
What is the InChIKey of 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate?
The InChIKey is QCWSKMNBGAEANN-GWPVCSCYSA-N. The full InChI is InChI=1S/C23H26N2O2.C17H23N3O.C17H21N3.C17H24N2O.C17H22N2O.C17H22N2.C16H20N4O3.C16H22N4O.C16H23N3.C16H19N3/c1-23(2,3)17-9-10-19-16(11-17)12-20-21(25-19)13-18(24-20)14-27-22(26)15-7-5-4-6-8-15;1-10(20-21)14-9-16-15(19-14)8-11-7-12(17(2,3)4)5-6-13(11)18-16;1-17(2,3)12-4-5-14-11(8-12)9-15-16(20-14)10-13(19-15)6-7-18;2*1-10(20)14-9-16-15(19-14)8-11-7-12(17(2,3)4)5-6-13(11)18-16;1-5-13-10-16-15(18-13)9-11-8-12(17(2,3)4)6-7-14(11)19-16;1-16(2,3)9-4-5-10-8(6-9)7-11-12(18-10)14(20(22)23)13(19-11)15(17)21;1-16(2,3)9-4-5-10-8(6-9)7-11-13(19-10)12(17)14(20-11)15(18)21;2*1-16(2,3)11-4-5-13-10(6-11)7-14-15(19-13)8-12(9-17)18-14/h4-8,12-13,17,24H,9-11,14H2,1-3H3;8-9,12,19,21H,5-7H2,1-4H3;9-10,12,19H,4-6,8H2,1-3H3;8-10,12,19-20H,5-7H2,1-4H3;8-9,12,19H,5-7H2,1-4H3;5,9-10,12,18H,1,6-8H2,2-4H3;7,9,19H,4-6H2,1-3H3,(H2,17,21);7,9,20H,4-6,17H2,1-3H3,(H2,18,21);7-8,11,18H,4-6,9,17H2,1-3H3;7-8,11,18H,4-6H2,1-3H3/b;20-10+;;;;;;;;.
What are the key properties of 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate?
3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate has a molecular weight of 2825.85 g/mol, XLogP of 36.68, 12 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;7-tert-butyl-3-nitro-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-carbonitrile;2-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)acetonitrile;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanone;(NE)-N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethylidene]hydroxylamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methyl benzoate is sourced from PubChem (CID 172984778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).