4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane

C78H103N5O — CID 142306928

IUPAC4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane
SMILESCC.CC(C)(C)C1CCNc2c(CN3CCOCC3)cc(Cc3ccccc3)cc21.CC(C)C1CCNc2c(CN3CCCCC3)cc(Cc3ccccc3)cc21.CCC1CCNc2c(CCc3ccccc3)cc(Cc3ccccc3)cc21
InChIInChI=1S/C26H29N.C25H34N2O.C25H34N2.C2H6/c1-2-23-15-16-27-26-24(14-13-20-9-5-3-6-10-20)18-22(19-25(23)26)17-21-11-7-4-8-12-21;1-25(2,3)23-9-10-26-24-21(18-27-11-13-28-14-12-27)16-20(17-22(23)24)15-19-7-5-4-6-8-19;1-19(2)23-11-12-26-25-22(18-27-13-7-4-8-14-27)16-21(17-24(23)25)15-20-9-5-3-6-10-20;1-2/h3-12,18-19,23,27H,2,13-17H2,1H3;4-8,16-17,23,26H,9-15,18H2,1-3H3;3,5-6,9-10,16-17,19,23,26H,4,7-8,11-15,18H2,1-2H3;1-2H3
InChIKeyBGYOWLXGBWZGEH-UHFFFAOYSA-N
MW1126.72 g/mol
LogP18.27
Rot. Bonds15

About 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane

4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane (PubChem CID 142306928) has the molecular formula C78H103N5O and a molecular weight of 1126.72 g/mol. Its IUPAC name is 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane.

Molecular Properties

Compound Name4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane
PubChem CID142306928
Molecular FormulaC78H103N5O
Molecular Weight1126.72 g/mol
Exact Mass1125.82
IUPAC Name4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane
SMILESCC.CC(C)(C)C1CCNc2c(CN3CCOCC3)cc(Cc3ccccc3)cc21.CC(C)C1CCNc2c(CN3CCCCC3)cc(Cc3ccccc3)cc21.CCC1CCNc2c(CCc3ccccc3)cc(Cc3ccccc3)cc21
InChIInChI=1S/C26H29N.C25H34N2O.C25H34N2.C2H6/c1-2-23-15-16-27-26-24(14-13-20-9-5-3-6-10-20)18-22(19-25(23)26)17-21-11-7-4-8-12-21;1-25(2,3)23-9-10-26-24-21(18-27-11-13-28-14-12-27)16-20(17-22(23)24)15-19-7-5-4-6-8-19;1-19(2)23-11-12-26-25-22(18-27-13-7-4-8-14-27)16-21(17-24(23)25)15-20-9-5-3-6-10-20;1-2/h3-12,18-19,23,27H,2,13-17H2,1H3;4-8,16-17,23,26H,9-15,18H2,1-3H3;3,5-6,9-10,16-17,19,23,26H,4,7-8,11-15,18H2,1-2H3;1-2H3
InChIKeyBGYOWLXGBWZGEH-UHFFFAOYSA-N
XLogP18.27
TPSA51.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.72
LogP ≤ 518.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane 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

6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142306810
6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306731
4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 134338528
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
4-[3-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2,2-dimethylpropyl]morpholine
CID 72906469
[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine
CID 142307126
2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol
CID 163640495
3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
CID 70749351
3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142307025
(3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one
CID 77093362
4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142306893
6-benzyl-4-propan-2-yl-3,4-dihydro-2H-chromene;6-benzyl-4-propan-2-yl-3,4-dihydro-2H-thiochromene;ethane
CID 142306887

Frequently Asked Questions

What is the IUPAC name of 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane?
The IUPAC name of 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane (CID 142306928) is 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane.
What is the SMILES notation for 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane?
The canonical SMILES for 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane is CC.CC(C)(C)C1CCNc2c(CN3CCOCC3)cc(Cc3ccccc3)cc21.CC(C)C1CCNc2c(CN3CCCCC3)cc(Cc3ccccc3)cc21.CCC1CCNc2c(CCc3ccccc3)cc(Cc3ccccc3)cc21.
What is the InChIKey of 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane?
The InChIKey is BGYOWLXGBWZGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N.C25H34N2O.C25H34N2.C2H6/c1-2-23-15-16-27-26-24(14-13-20-9-5-3-6-10-20)18-22(19-25(23)26)17-21-11-7-4-8-12-21;1-25(2,3)23-9-10-26-24-21(18-27-11-13-28-14-12-27)16-20(17-22(23)24)15-19-7-5-4-6-8-19;1-19(2)23-11-12-26-25-22(18-27-13-7-4-8-14-27)16-21(17-24(23)25)15-20-9-5-3-6-10-20;1-2/h3-12,18-19,23,27H,2,13-17H2,1H3;4-8,16-17,23,26H,9-15,18H2,1-3H3;3,5-6,9-10,16-17,19,23,26H,4,7-8,11-15,18H2,1-2H3;1-2H3.
What are the key properties of 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane?
4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane has a molecular weight of 1126.72 g/mol, XLogP of 18.27, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane is sourced from PubChem (CID 142306928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).