14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene

C15H19ClN2 — CID 54151558

IUPAC14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
SMILESCN1CCC2=C(C1)C1=C3C(=NCC3C2)CC(Cl)C1
InChIInChI=1S/C15H19ClN2/c1-18-3-2-9-4-10-7-17-14-6-11(16)5-12(15(10)14)13(9)8-18/h10-11H,2-8H2,1H3
InChIKeyOICDDDOLRNHKKY-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.79
Rot. Bonds

About 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene

14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene (PubChem CID 54151558) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene.

Molecular Properties

Compound Name14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
PubChem CID54151558
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
SMILESCN1CCC2=C(C1)C1=C3C(=NCC3C2)CC(Cl)C1
InChIInChI=1S/C15H19ClN2/c1-18-3-2-9-4-10-7-17-14-6-11(16)5-12(15(10)14)13(9)8-18/h10-11H,2-8H2,1H3
InChIKeyOICDDDOLRNHKKY-UHFFFAOYSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4,5-Dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53899128
4-Methyl-5-propyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54176352
4-Methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54208723
4-Methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54286019
5-Hexyl-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54325839
14-Chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 57290546

Frequently Asked Questions

What is the IUPAC name of 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene?
The IUPAC name of 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene (CID 54151558) is 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene.
What is the SMILES notation for 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene?
The canonical SMILES for 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene is CN1CCC2=C(C1)C1=C3C(=NCC3C2)CC(Cl)C1.
What is the InChIKey of 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene?
The InChIKey is OICDDDOLRNHKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-18-3-2-9-4-10-7-17-14-6-11(16)5-12(15(10)14)13(9)8-18/h10-11H,2-8H2,1H3.
What are the key properties of 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene?
14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene has a molecular weight of 262.78 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene is sourced from PubChem (CID 54151558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).