13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

C16H12Cl2N2O — CID 115404069

IUPAC13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESCC1(C)Oc2ccccc2-c2nc3c(Cl)cc(Cl)cn3c21
InChIInChI=1S/C16H12Cl2N2O/c1-16(2)14-13(10-5-3-4-6-12(10)21-16)19-15-11(18)7-9(17)8-20(14)15/h3-8H,1-2H3
InChIKeyYHNNXELMEGUHGA-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.94
Rot. Bonds

About 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (PubChem CID 115404069) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.

Molecular Properties

Compound Name13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
PubChem CID115404069
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESCC1(C)Oc2ccccc2-c2nc3c(Cl)cc(Cl)cn3c21
InChIInChI=1S/C16H12Cl2N2O/c1-16(2)14-13(10-5-3-4-6-12(10)21-16)19-15-11(18)7-9(17)8-20(14)15/h3-8H,1-2H3
InChIKeyYHNNXELMEGUHGA-UHFFFAOYSA-N
XLogP4.94
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene with MolForge

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Related Compounds

13-bromo-9,9,15-trimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 83168913
13-fluoro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 115404547
6,8-dichloro-2-(2-fluorophenyl)-3-methylimidazo[1,2-a]pyridine
CID 112680443
13-chloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,11,13,15-heptaene
CID 103095238
13-ethyl-9,9-dimethyl-8-oxa-14-thia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
CID 107646342
6,8-dichloro-3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 67028901
6,8-dichloro-2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114860102
6,6-dimethylnaphtho[2,3-c]chromene
CID 59403858
5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile
CID 81136671
2-(5-bromofuran-2-yl)-6,8-dichloroimidazo[1,2-a]pyridin-3-amine
CID 63618631
2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82060428
spiro[8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-9,9'-thioxanthene]
CID 59126016

Frequently Asked Questions

What is the IUPAC name of 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The IUPAC name of 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (CID 115404069) is 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.
What is the SMILES notation for 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The canonical SMILES for 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is CC1(C)Oc2ccccc2-c2nc3c(Cl)cc(Cl)cn3c21.
What is the InChIKey of 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The InChIKey is YHNNXELMEGUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-16(2)14-13(10-5-3-4-6-12(10)21-16)19-15-11(18)7-9(17)8-20(14)15/h3-8H,1-2H3.
What are the key properties of 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene has a molecular weight of 319.19 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13,15-dichloro-9,9-dimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is sourced from PubChem (CID 115404069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).