7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole

C63H76N8O4 — CID 161011499

IUPAC7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1.OCc1ccc2c(C3CN4CCC3CC4)c[nH]c2c1.c1[nH]c2cc3c(cc2c1C1CN2CCC1CC2)OCO3.c1ccc2c(C3CN4CCC3CC4)c[nH]c2c1
InChIInChI=1S/C16H18N2O2.2C16H20N2O.C15H18N2/c1-3-18-4-2-10(1)13(8-18)12-7-17-14-6-16-15(5-11(12)14)19-9-20-16;1-19-12-2-3-16-13(8-12)14(9-17-16)15-10-18-6-4-11(15)5-7-18;19-10-11-1-2-13-14(8-17-16(13)7-11)15-9-18-5-3-12(15)4-6-18;1-2-4-15-12(3-1)13(9-16-15)14-10-17-7-5-11(14)6-8-17/h5-7,10,13,17H,1-4,8-9H2;2-3,8-9,11,15,17H,4-7,10H2,1H3;1-2,7-8,12,15,17,19H,3-6,9-10H2;1-4,9,11,14,16H,5-8,10H2
InChIKeyTXEIBCZBHMSCFJ-UHFFFAOYSA-N
MW1009.35 g/mol
LogP11.14
Rot. Bonds6

About 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole

7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole (PubChem CID 161011499) has the molecular formula C63H76N8O4 and a molecular weight of 1009.35 g/mol. Its IUPAC name is 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole.

Molecular Properties

Compound Name7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole
PubChem CID161011499
Molecular FormulaC63H76N8O4
Molecular Weight1009.35 g/mol
Exact Mass1008.60
IUPAC Name7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1.OCc1ccc2c(C3CN4CCC3CC4)c[nH]c2c1.c1[nH]c2cc3c(cc2c1C1CN2CCC1CC2)OCO3.c1ccc2c(C3CN4CCC3CC4)c[nH]c2c1
InChIInChI=1S/C16H18N2O2.2C16H20N2O.C15H18N2/c1-3-18-4-2-10(1)13(8-18)12-7-17-14-6-16-15(5-11(12)14)19-9-20-16;1-19-12-2-3-16-13(8-12)14(9-17-16)15-10-18-6-4-11(15)5-7-18;19-10-11-1-2-13-14(8-17-16(13)7-11)15-9-18-5-3-12(15)4-6-18;1-2-4-15-12(3-1)13(9-16-15)14-10-17-7-5-11(14)6-8-17/h5-7,10,13,17H,1-4,8-9H2;2-3,8-9,11,15,17H,4-7,10H2,1H3;1-2,7-8,12,15,17,19H,3-6,9-10H2;1-4,9,11,14,16H,5-8,10H2
InChIKeyTXEIBCZBHMSCFJ-UHFFFAOYSA-N
XLogP11.14
TPSA124.04 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.35
LogP ≤ 511.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole with MolForge

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Related Compounds

5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;8-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;2-(6-methoxy-1H-indol-3-yl)-4-methylquinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 159141055
2-[2-(3-Aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-hydroxyphenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-pyridin-2-ylethynyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 161908761
4,4-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol
CID 10111103
8-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole
CID 10199398
5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol
CID 10201356
5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole
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4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol
CID 10271809
5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol
CID 10272704
7-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
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7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
CID 21469370
7-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
CID 21469450
7,7a(2)-Butylidenebis[5H-1,3-dioxolo[4,5-f]indole]
CID 22019308

Frequently Asked Questions

What is the IUPAC name of 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole?
The IUPAC name of 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole (CID 161011499) is 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole.
What is the SMILES notation for 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole?
The canonical SMILES for 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole is COc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1.OCc1ccc2c(C3CN4CCC3CC4)c[nH]c2c1.c1[nH]c2cc3c(cc2c1C1CN2CCC1CC2)OCO3.c1ccc2c(C3CN4CCC3CC4)c[nH]c2c1.
What is the InChIKey of 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole?
The InChIKey is TXEIBCZBHMSCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.2C16H20N2O.C15H18N2/c1-3-18-4-2-10(1)13(8-18)12-7-17-14-6-16-15(5-11(12)14)19-9-20-16;1-19-12-2-3-16-13(8-12)14(9-17-16)15-10-18-6-4-11(15)5-7-18;19-10-11-1-2-13-14(8-17-16(13)7-11)15-9-18-5-3-12(15)4-6-18;1-2-4-15-12(3-1)13(9-16-15)14-10-17-7-5-11(14)6-8-17/h5-7,10,13,17H,1-4,8-9H2;2-3,8-9,11,15,17H,4-7,10H2,1H3;1-2,7-8,12,15,17,19H,3-6,9-10H2;1-4,9,11,14,16H,5-8,10H2.
What are the key properties of 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole?
7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole has a molecular weight of 1009.35 g/mol, XLogP of 11.14, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole is sourced from PubChem (CID 161011499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).