(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene

C17H23ClN2 — CID 19879723

IUPAC(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
SMILESCC1C2CC3=C(CCC4=C3/C=C(/Cl)CNCC41C)N2C
InChIInChI=1S/C17H23ClN2/c1-10-16-7-13-12-6-11(18)8-19-9-17(10,2)14(12)4-5-15(13)20(16)3/h6,10,16,19H,4-5,7-9H2,1-3H3/b11-6+
InChIKeyVIUIGGIQDDIPMC-IZZDOVSWSA-N
MW290.84 g/mol
LogP3.42
Rot. Bonds

About (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene

(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene (PubChem CID 19879723) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene.

Molecular Properties

Compound Name(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
PubChem CID19879723
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene
SMILESCC1C2CC3=C(CCC4=C3/C=C(/Cl)CNCC41C)N2C
InChIInChI=1S/C17H23ClN2/c1-10-16-7-13-12-6-11(18)8-19-9-17(10,2)14(12)4-5-15(13)20(16)3/h6,10,16,19H,4-5,7-9H2,1-3H3/b11-6+
InChIKeyVIUIGGIQDDIPMC-IZZDOVSWSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The IUPAC name of (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene (CID 19879723) is (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene.
What is the SMILES notation for (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The canonical SMILES for (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene is CC1C2CC3=C(CCC4=C3/C=C(/Cl)CNCC41C)N2C.
What is the InChIKey of (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
The InChIKey is VIUIGGIQDDIPMC-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-10-16-7-13-12-6-11(18)8-19-9-17(10,2)14(12)4-5-15(13)20(16)3/h6,10,16,19H,4-5,7-9H2,1-3H3/b11-6+.
What are the key properties of (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene?
(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene has a molecular weight of 290.84 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5-triene is sourced from PubChem (CID 19879723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).