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

C18H23ClN2 — CID 19879728

IUPAC(5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCCN1C2=C3CC1C(C)C1(C)/C=N\C/C(Cl)=C\C3=C1CC2
InChIInChI=1S/C18H23ClN2/c1-4-21-16-6-5-15-13-7-12(19)9-20-10-18(15,3)11(2)17(21)8-14(13)16/h7,10-11,17H,4-6,8-9H2,1-3H3/b12-7+,20-10-
InChIKeyRXYIGMBATRNSJH-UXMLJZNUSA-N
MW302.85 g/mol
LogP4.29
Rot. Bonds1

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

(5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879728) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is (5E)-6-chloro-15-ethyl-10,16-dimethyl-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-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID19879728
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name(5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCCN1C2=C3CC1C(C)C1(C)/C=N\C/C(Cl)=C\C3=C1CC2
InChIInChI=1S/C18H23ClN2/c1-4-21-16-6-5-15-13-7-12(19)9-20-10-18(15,3)11(2)17(21)8-14(13)16/h7,10-11,17H,4-6,8-9H2,1-3H3/b12-7+,20-10-
InChIKeyRXYIGMBATRNSJH-UXMLJZNUSA-N
XLogP4.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-6-chloro-15-ethyl-10,16-dimethyl-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-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 19879728) is (5E)-6-chloro-15-ethyl-10,16-dimethyl-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-15-ethyl-10,16-dimethyl-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-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is CCN1C2=C3CC1C(C)C1(C)/C=N\C/C(Cl)=C\C3=C1CC2.
What is the InChIKey of (5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is RXYIGMBATRNSJH-UXMLJZNUSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-21-16-6-5-15-13-7-12(19)9-20-10-18(15,3)11(2)17(21)8-14(13)16/h7,10-11,17H,4-6,8-9H2,1-3H3/b12-7+,20-10-.
What are the key properties of (5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
(5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene has a molecular weight of 302.85 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is sourced from PubChem (CID 19879728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).