11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one

C17H21ClN6O — CID 167626499

IUPAC11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one
SMILESC=C1N=C2c3c(nc(C)c(Cl)c3N(C)C(=O)C3CN(C)CCN23)N1C
InChIInChI=1S/C17H21ClN6O/c1-9-13(18)14-12-15(19-9)22(4)10(2)20-16(12)24-7-6-21(3)8-11(24)17(25)23(14)5/h11H,2,6-8H2,1,3-5H3
InChIKeyJZVPYLIBABURCW-UHFFFAOYSA-N
MW360.85 g/mol
LogP1.30
Rot. Bonds

About 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one

11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one (PubChem CID 167626499) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one.

Molecular Properties

Compound Name11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one
PubChem CID167626499
Molecular FormulaC17H21ClN6O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one
SMILESC=C1N=C2c3c(nc(C)c(Cl)c3N(C)C(=O)C3CN(C)CCN23)N1C
InChIInChI=1S/C17H21ClN6O/c1-9-13(18)14-12-15(19-9)22(4)10(2)20-16(12)24-7-6-21(3)8-11(24)17(25)23(14)5/h11H,2,6-8H2,1,3-5H3
InChIKeyJZVPYLIBABURCW-UHFFFAOYSA-N
XLogP1.30
TPSA55.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one?
The IUPAC name of 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one (CID 167626499) is 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one.
What is the SMILES notation for 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one?
The canonical SMILES for 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one is C=C1N=C2c3c(nc(C)c(Cl)c3N(C)C(=O)C3CN(C)CCN23)N1C.
What is the InChIKey of 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one?
The InChIKey is JZVPYLIBABURCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O/c1-9-13(18)14-12-15(19-9)22(4)10(2)20-16(12)24-7-6-21(3)8-11(24)17(25)23(14)5/h11H,2,6-8H2,1,3-5H3.
What are the key properties of 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one?
11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one has a molecular weight of 360.85 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one is sourced from PubChem (CID 167626499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).