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

C17H21ClN2 — CID 57047997

IUPAC6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
SMILESC/C1=N/CC(Cl)=CC2=C3CCC4=NC(CC42)C(C)C31C
InChIInChI=1S/C17H21ClN2/c1-9-16-7-13-12-6-11(18)8-19-10(2)17(9,3)14(12)4-5-15(13)20-16/h6,9,13,16H,4-5,7-8H2,1-3H3/b11-6?,19-10-
InChIKeyDPGZJNZAIUEBJW-VVJJSFIBSA-N
MW288.82 g/mol
LogP4.16
Rot. Bonds

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

6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene (PubChem CID 57047997) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene.

Molecular Properties

Compound Name6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
PubChem CID57047997
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
SMILESC/C1=N/CC(Cl)=CC2=C3CCC4=NC(CC42)C(C)C31C
InChIInChI=1S/C17H21ClN2/c1-9-16-7-13-12-6-11(18)8-19-10(2)17(9,3)14(12)4-5-15(13)20-16/h6,9,13,16H,4-5,7-8H2,1-3H3/b11-6?,19-10-
InChIKeyDPGZJNZAIUEBJW-VVJJSFIBSA-N
XLogP4.16
TPSA24.72 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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
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 54039751
10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57053520
10,16-Dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57141995
6-Chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57157118
2-[(3E)-4,5-dimethylhexa-3,5-dien-2-yl]-5-ethyl-3,3,4,4-tetramethyl-2H-pyrrole
CID 88589153
2-(4,5-dimethylhexa-3,5-dien-2-yl)-5-ethyl-3,3,4,4-tetramethyl-2H-pyrrole
CID 60030188

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The IUPAC name of 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene (CID 57047997) is 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene.
What is the SMILES notation for 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The canonical SMILES for 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene is C/C1=N/CC(Cl)=CC2=C3CCC4=NC(CC42)C(C)C31C.
What is the InChIKey of 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The InChIKey is DPGZJNZAIUEBJW-VVJJSFIBSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-9-16-7-13-12-6-11(18)8-19-10(2)17(9,3)14(12)4-5-15(13)20-16/h6,9,13,16H,4-5,7-8H2,1-3H3/b11-6?,19-10-.
What are the key properties of 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene has a molecular weight of 288.82 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene is sourced from PubChem (CID 57047997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).