11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole

C18H17NO — CID 68565618

IUPAC11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole
SMILESCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2
InChIInChI=1S/C18H17NO/c1-3-14-16-10-13(20-2)8-9-17(16)19-11-12-6-4-5-7-15(12)18(14)19/h4-10H,3,11H2,1-2H3
InChIKeyNWKMLEHXNCFOEA-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.24
Rot. Bonds2

About 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole

11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole (PubChem CID 68565618) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole.

Molecular Properties

Compound Name11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole
PubChem CID68565618
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole
SMILESCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2
InChIInChI=1S/C18H17NO/c1-3-14-16-10-13(20-2)8-9-17(16)19-11-12-6-4-5-7-15(12)18(14)19/h4-10H,3,11H2,1-2H3
InChIKeyNWKMLEHXNCFOEA-UHFFFAOYSA-N
XLogP4.24
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
CID 68569962
2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-ethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 68565801
9-butyl-3-methoxycarbazole
CID 132503458
(2,8-dimethoxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(methoxymethoxy)phenyl]methanone
CID 139932337
5-methoxy-8-(2-nitroethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaene
CID 18378706
2-methoxy-5-methyl-6H-indeno[2,1-b]indole
CID 22722361
[3-chloro-11-[2-(methylamino)ethyl]-6H-isoindolo[2,1-a]indol-2-yl]sulfamic acid
CID 68568529
19-cyclohexyl-5-methoxy-9-methyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13,15,17-heptaen-10-one
CID 91614050
3-methoxy-9-(trifluoromethyl)carbazole
CID 153297232
11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline
CID 135026219
3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid
CID 138718173
4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline
CID 146534951

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole?
The IUPAC name of 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole (CID 68565618) is 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole.
What is the SMILES notation for 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole?
The canonical SMILES for 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole is CCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2.
What is the InChIKey of 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole?
The InChIKey is NWKMLEHXNCFOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-14-16-10-13(20-2)8-9-17(16)19-11-12-6-4-5-7-15(12)18(14)19/h4-10H,3,11H2,1-2H3.
What are the key properties of 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole?
11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole has a molecular weight of 263.34 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole is sourced from PubChem (CID 68565618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).