1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone

C169H257N17O5 — CID 158547042

IUPAC1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCN(CCO)CC2)c2ccccc21.CC(C)(C)N1CC2(CCNCC2)c2ccccc21.CC(C)(C)N1CCC(O)(c2ccccc2)C2CCCCC21.CC(C)(C)N1CCCc2ccccc21.CC(C)NC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1CCN(C(C)(C)C)c2ccccc21.CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.COCCN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12
InChIInChI=1S/C20H31N3O.C19H30N2O.C19H29NO.C18H26N2O.C18H28N2O.C17H26N2.C16H24N2.C15H23N.C14H21N.C13H19N/c1-15(2)21-18(24)22-12-10-20(11-13-22)14-23(19(3,4)5)17-9-7-6-8-16(17)20;1-18(2,3)21-15-19(16-7-5-6-8-17(16)21)9-11-20(12-10-19)13-14-22-4;1-18(2,3)20-14-13-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20;1-14(21)19-11-9-18(10-12-19)13-20(17(2,3)4)16-8-6-5-7-15(16)18;1-17(2,3)20-14-18(15-6-4-5-7-16(15)20)8-10-19(11-9-18)12-13-21;1-16(2,3)19-13-17(9-11-18(4)12-10-17)14-7-5-6-8-15(14)19;1-15(2,3)18-12-16(8-10-17-11-9-16)13-6-4-5-7-14(13)18;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-11-9-10-15(14(2,3)4)13-8-6-5-7-12(11)13;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14/h6-9,15H,10-14H2,1-5H3,(H,21,24);5-8H,9-15H2,1-4H3;4-6,9-10,16-17,21H,7-8,11-14H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,21H,8-14H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,17H,8-12H2,1-3H3;6-9H,10-11H2,1-5H3;5-8,11H,9-10H2,1-4H3;4-5,7,9H,6,8,10H2,1-3H3
InChIKeyHPGCGFUWHNEDIE-UHFFFAOYSA-N
MW2607.03 g/mol
LogP34.00
Rot. Bonds7

About 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone

1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone (PubChem CID 158547042) has the molecular formula C169H257N17O5 and a molecular weight of 2607.03 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
PubChem CID158547042
Molecular FormulaC169H257N17O5
Molecular Weight2607.03 g/mol
Exact Mass2605.04
IUPAC Name1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCN(CCO)CC2)c2ccccc21.CC(C)(C)N1CC2(CCNCC2)c2ccccc21.CC(C)(C)N1CCC(O)(c2ccccc2)C2CCCCC21.CC(C)(C)N1CCCc2ccccc21.CC(C)NC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1CCN(C(C)(C)C)c2ccccc21.CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.COCCN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12
InChIInChI=1S/C20H31N3O.C19H30N2O.C19H29NO.C18H26N2O.C18H28N2O.C17H26N2.C16H24N2.C15H23N.C14H21N.C13H19N/c1-15(2)21-18(24)22-12-10-20(11-13-22)14-23(19(3,4)5)17-9-7-6-8-16(17)20;1-18(2,3)21-15-19(16-7-5-6-8-17(16)21)9-11-20(12-10-19)13-14-22-4;1-18(2,3)20-14-13-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20;1-14(21)19-11-9-18(10-12-19)13-20(17(2,3)4)16-8-6-5-7-15(16)18;1-17(2,3)20-14-18(15-6-4-5-7-16(15)20)8-10-19(11-9-18)12-13-21;1-16(2,3)19-13-17(9-11-18(4)12-10-17)14-7-5-6-8-15(14)19;1-15(2,3)18-12-16(8-10-17-11-9-16)13-6-4-5-7-14(13)18;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-11-9-10-15(14(2,3)4)13-8-6-5-7-12(11)13;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14/h6-9,15H,10-14H2,1-5H3,(H,21,24);5-8H,9-15H2,1-4H3;4-6,9-10,16-17,21H,7-8,11-14H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,21H,8-14H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,17H,8-12H2,1-3H3;6-9H,10-11H2,1-5H3;5-8,11H,9-10H2,1-4H3;4-5,7,9H,6,8,10H2,1-3H3
InChIKeyHPGCGFUWHNEDIE-UHFFFAOYSA-N
XLogP34.00
TPSA156.49 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002607.03
LogP ≤ 534.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone (CID 158547042) is 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone is CC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCN(CCO)CC2)c2ccccc21.CC(C)(C)N1CC2(CCNCC2)c2ccccc21.CC(C)(C)N1CCC(O)(c2ccccc2)C2CCCCC21.CC(C)(C)N1CCCc2ccccc21.CC(C)NC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1CCN(C(C)(C)C)c2ccccc21.CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.COCCN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.
What is the InChIKey of 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The InChIKey is HPGCGFUWHNEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.C19H30N2O.C19H29NO.C18H26N2O.C18H28N2O.C17H26N2.C16H24N2.C15H23N.C14H21N.C13H19N/c1-15(2)21-18(24)22-12-10-20(11-13-22)14-23(19(3,4)5)17-9-7-6-8-16(17)20;1-18(2,3)21-15-19(16-7-5-6-8-17(16)21)9-11-20(12-10-19)13-14-22-4;1-18(2,3)20-14-13-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20;1-14(21)19-11-9-18(10-12-19)13-20(17(2,3)4)16-8-6-5-7-15(16)18;1-17(2,3)20-14-18(15-6-4-5-7-16(15)20)8-10-19(11-9-18)12-13-21;1-16(2,3)19-13-17(9-11-18(4)12-10-17)14-7-5-6-8-15(14)19;1-15(2,3)18-12-16(8-10-17-11-9-16)13-6-4-5-7-14(13)18;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-11-9-10-15(14(2,3)4)13-8-6-5-7-12(11)13;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14/h6-9,15H,10-14H2,1-5H3,(H,21,24);5-8H,9-15H2,1-4H3;4-6,9-10,16-17,21H,7-8,11-14H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,21H,8-14H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,17H,8-12H2,1-3H3;6-9H,10-11H2,1-5H3;5-8,11H,9-10H2,1-4H3;4-5,7,9H,6,8,10H2,1-3H3.
What are the key properties of 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone has a molecular weight of 2607.03 g/mol, XLogP of 34.00, 7 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 158547042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).