2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride

C19H22Cl2N2 — CID 68564535

IUPAC2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride
SMILESCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2.CNC.Cl
InChIInChI=1S/C17H14ClN.C2H7N.ClH/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19;1-3-2;/h3-9H,2,10H2,1H3;3H,1-2H3;1H
InChIKeyAEQQIMKFALFEIV-UHFFFAOYSA-N
MW349.31 g/mol
LogP5.14
Rot. Bonds1

About 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride

2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride (PubChem CID 68564535) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride
PubChem CID68564535
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride
SMILESCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2.CNC.Cl
InChIInChI=1S/C17H14ClN.C2H7N.ClH/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19;1-3-2;/h3-9H,2,10H2,1H3;3H,1-2H3;1H
InChIKeyAEQQIMKFALFEIV-UHFFFAOYSA-N
XLogP5.14
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.31
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride?
The IUPAC name of 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride (CID 68564535) is 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride.
What is the SMILES notation for 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride?
The canonical SMILES for 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride is CCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2.CNC.Cl.
What is the InChIKey of 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride?
The InChIKey is AEQQIMKFALFEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN.C2H7N.ClH/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19;1-3-2;/h3-9H,2,10H2,1H3;3H,1-2H3;1H.
What are the key properties of 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride?
2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride has a molecular weight of 349.31 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 68564535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).