14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene

C15H19ClN2 — CID 20505357

IUPAC14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
SMILESCN1CCC2=C(C1)C1=C3C(=CC(Cl)C1)NCC3C2
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/h6,10-11,17H,2-5,7-8H2,1H3
InChIKeyQCGJBTMUTWLGSX-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.43
Rot. Bonds

About 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene

14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene (PubChem CID 20505357) 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),12-triene.

Molecular Properties

Compound Name14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
PubChem CID20505357
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),12-triene
SMILESCN1CCC2=C(C1)C1=C3C(=CC(Cl)C1)NCC3C2
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/h6,10-11,17H,2-5,7-8H2,1H3
InChIKeyQCGJBTMUTWLGSX-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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),12-triene?
The IUPAC name of 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene (CID 20505357) is 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-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),12-triene?
The canonical SMILES for 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene is CN1CCC2=C(C1)C1=C3C(=CC(Cl)C1)NCC3C2.
What is the InChIKey of 14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
The InChIKey is QCGJBTMUTWLGSX-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/h6,10-11,17H,2-5,7-8H2,1H3.
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),12-triene?
14-chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene has a molecular weight of 262.78 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 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),12-triene is sourced from PubChem (CID 20505357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).