11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one

C14H13ClN2O — CID 3049897

IUPAC11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
SMILESO=C1CCC2NCCc3c2n1c1cccc(Cl)c31
InChIInChI=1S/C14H13ClN2O/c15-9-2-1-3-11-13(9)8-6-7-16-10-4-5-12(18)17(11)14(8)10/h1-3,10,16H,4-7H2
InChIKeyDAZYFJYBYYLDHM-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.92
Rot. Bonds

About 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one

11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one (PubChem CID 3049897) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one.

Molecular Properties

Compound Name11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
PubChem CID3049897
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
SMILESO=C1CCC2NCCc3c2n1c1cccc(Cl)c31
InChIInChI=1S/C14H13ClN2O/c15-9-2-1-3-11-13(9)8-6-7-16-10-4-5-12(18)17(11)14(8)10/h1-3,10,16H,4-7H2
InChIKeyDAZYFJYBYYLDHM-UHFFFAOYSA-N
XLogP2.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The IUPAC name of 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one (CID 3049897) is 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one.
What is the SMILES notation for 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The canonical SMILES for 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one is O=C1CCC2NCCc3c2n1c1cccc(Cl)c31.
What is the InChIKey of 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The InChIKey is DAZYFJYBYYLDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-9-2-1-3-11-13(9)8-6-7-16-10-4-5-12(18)17(11)14(8)10/h1-3,10,16H,4-7H2.
What are the key properties of 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one has a molecular weight of 260.72 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one is sourced from PubChem (CID 3049897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).