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

C17H21ClN2 — CID 19879735

IUPAC(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C(/Cl)C/N=C\C41C)N2C
InChIInChI=1S/C17H21ClN2/c1-10-16-7-13-12-6-11(18)8-19-9-17(10,2)14(12)4-5-15(13)20(16)3/h6,9-10,16H,4-5,7-8H2,1-3H3/b11-6+,19-9-
InChIKeyDVFVRQZBGWCKCA-DHTDEGAGSA-N
MW288.82 g/mol
LogP3.90
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),5,8-tetraene

(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879735) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 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),5,8-tetraene.

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),5,8-tetraene
PubChem CID19879735
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C(/Cl)C/N=C\C41C)N2C
InChIInChI=1S/C17H21ClN2/c1-10-16-7-13-12-6-11(18)8-19-9-17(10,2)14(12)4-5-15(13)20(16)3/h6,9-10,16H,4-5,7-8H2,1-3H3/b11-6+,19-9-
InChIKeyDVFVRQZBGWCKCA-DHTDEGAGSA-N
XLogP3.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.90
H-Bond Donors ≤ 50
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),5,8-tetraene?
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),5,8-tetraene (CID 19879735) is (5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.
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),5,8-tetraene?
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),5,8-tetraene is CC1C2CC3=C(CCC4=C3/C=C(/Cl)C/N=C\C41C)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),5,8-tetraene?
The InChIKey is DVFVRQZBGWCKCA-DHTDEGAGSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-10-16-7-13-12-6-11(18)8-19-9-17(10,2)14(12)4-5-15(13)20(16)3/h6,9-10,16H,4-5,7-8H2,1-3H3/b11-6+,19-9-.
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),5,8-tetraene?
(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene has a molecular weight of 288.82 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 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),5,8-tetraene is sourced from PubChem (CID 19879735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).