3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C18H14Cl2N4O — CID 42629827

IUPAC3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCOc1ccc2nc(C)c3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2n1
InChIInChI=1S/C18H14Cl2N4O/c1-9-16-10(2)22-17(12-8-11(19)4-5-13(12)20)24(16)18-14(21-9)6-7-15(23-18)25-3/h4-8H,1-3H3
InChIKeyRMKFHXBPLKSLMZ-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.88
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 42629827) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID42629827
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCOc1ccc2nc(C)c3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2n1
InChIInChI=1S/C18H14Cl2N4O/c1-9-16-10(2)22-17(12-8-11(19)4-5-13(12)20)24(16)18-14(21-9)6-7-15(23-18)25-3/h4-8H,1-3H3
InChIKeyRMKFHXBPLKSLMZ-UHFFFAOYSA-N
XLogP4.88
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene with MolForge

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Related Compounds

N-(2-chloro-6-methylphenyl)-12-methoxy-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11233080
3,4-Dimethyl-8-methoxy-1-pentyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 24802721
1-Cyclohexyl-3,4-dimethyl-8-methoxy-imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 24802722
9-(2,5-Dichlorophenyl)-2-methoxy-6-methyl-7-(trifluoromethyl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42629822
2-Methoxy-6,7-dimethyl-9-(2-methylphenyl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42629945
2-Methoxy-6,7-dimethyl-9-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42630063
2-Methoxy-9-(2-methoxyphenyl)-6,7-dimethylimidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42630064
2-Methoxy-6,7-dimethyl-9-[2-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42630065
4-Cyano-1-cyclohexyl-8-methoxy-3-methyl-imidazo[1,5-a]pyrido-[3,2-e]pyrazine
CID 42630684
3-(2-Chlorophenyl)-12-methoxy-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7-carbonitrile
CID 42630796
1-Benzyl-3,4-dimethyl-8-methoxy-imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42630799
3-(2-Chlorophenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46186792

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 42629827) is 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is COc1ccc2nc(C)c3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2n1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is RMKFHXBPLKSLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-9-16-10(2)22-17(12-8-11(19)4-5-13(12)20)24(16)18-14(21-9)6-7-15(23-18)25-3/h4-8H,1-3H3.
What are the key properties of 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 373.24 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 42629827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).