(5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

C18H23ClN2 — CID 19879724

IUPAC(5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESC/C1=N/C/C(Cl)=C\C2=C3CCC4=C2CC(C(C)C31C)N4C
InChIInChI=1S/C18H23ClN2/c1-10-17-8-14-13-7-12(19)9-20-11(2)18(10,3)15(13)5-6-16(14)21(17)4/h7,10,17H,5-6,8-9H2,1-4H3/b12-7+,20-11-
InChIKeyLLMPMIKLSMVUGH-CMIJLNBASA-N
MW302.85 g/mol
LogP4.29
Rot. Bonds

About (5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

(5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879724) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is (5E)-6-chloro-9,10,15,16-tetramethyl-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-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID19879724
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name(5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESC/C1=N/C/C(Cl)=C\C2=C3CCC4=C2CC(C(C)C31C)N4C
InChIInChI=1S/C18H23ClN2/c1-10-17-8-14-13-7-12(19)9-20-11(2)18(10,3)15(13)5-6-16(14)21(17)4/h7,10,17H,5-6,8-9H2,1-4H3/b12-7+,20-11-
InChIKeyLLMPMIKLSMVUGH-CMIJLNBASA-N
XLogP4.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-chloro-9,10,15,16-tetramethyl-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-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 19879724) is (5E)-6-chloro-9,10,15,16-tetramethyl-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-9,10,15,16-tetramethyl-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-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is C/C1=N/C/C(Cl)=C\C2=C3CCC4=C2CC(C(C)C31C)N4C.
What is the InChIKey of (5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is LLMPMIKLSMVUGH-CMIJLNBASA-N. The full InChI is InChI=1S/C18H23ClN2/c1-10-17-8-14-13-7-12(19)9-20-11(2)18(10,3)15(13)5-6-16(14)21(17)4/h7,10,17H,5-6,8-9H2,1-4H3/b12-7+,20-11-.
What are the key properties of (5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
(5E)-6-chloro-9,10,15,16-tetramethyl-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, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is sourced from PubChem (CID 19879724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).