14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene

C15H17ClN2 — CID 57290546

IUPAC14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
SMILESCC1N=CCC2=C3CC(Cl)CC4=NCC(=C43)CC21
InChIInChI=1S/C15H17ClN2/c1-8-12-4-9-7-18-14-6-10(16)5-13(15(9)14)11(12)2-3-17-8/h3,8,10,12H,2,4-7H2,1H3
InChIKeyLOLJWUHTPLUHBB-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.32
Rot. Bonds

About 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene

14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene (PubChem CID 57290546) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene.

Molecular Properties

Compound Name14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
PubChem CID57290546
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
SMILESCC1N=CCC2=C3CC(Cl)CC4=NCC(=C43)CC21
InChIInChI=1S/C15H17ClN2/c1-8-12-4-9-7-18-14-6-10(16)5-13(15(9)14)11(12)2-3-17-8/h3,8,10,12H,2,4-7H2,1H3
InChIKeyLOLJWUHTPLUHBB-UHFFFAOYSA-N
XLogP3.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.32
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

14-Chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 54151558
5,11-Diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56613530
6-Methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56627732

Frequently Asked Questions

What is the IUPAC name of 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The IUPAC name of 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene (CID 57290546) is 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene.
What is the SMILES notation for 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The canonical SMILES for 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene is CC1N=CCC2=C3CC(Cl)CC4=NCC(=C43)CC21.
What is the InChIKey of 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
The InChIKey is LOLJWUHTPLUHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-8-12-4-9-7-18-14-6-10(16)5-13(15(9)14)11(12)2-3-17-8/h3,8,10,12H,2,4-7H2,1H3.
What are the key properties of 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene?
14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene has a molecular weight of 260.77 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene is sourced from PubChem (CID 57290546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).