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

C19H18N4O2 — CID 42630064

IUPAC12-methoxy-3-(2-methoxyphenyl)-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(-c4ccccc4OC)n3c2n1
InChIInChI=1S/C19H18N4O2/c1-11-17-12(2)21-18(13-7-5-6-8-15(13)24-3)23(17)19-14(20-11)9-10-16(22-19)25-4/h5-10H,1-4H3
InChIKeyCEDPQOAAUSEXPN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.58
Rot. Bonds3

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

12-methoxy-3-(2-methoxyphenyl)-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 42630064) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 12-methoxy-3-(2-methoxyphenyl)-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 Name12-methoxy-3-(2-methoxyphenyl)-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID42630064
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name12-methoxy-3-(2-methoxyphenyl)-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(-c4ccccc4OC)n3c2n1
InChIInChI=1S/C19H18N4O2/c1-11-17-12(2)21-18(13-7-5-6-8-15(13)24-3)23(17)19-14(20-11)9-10-16(22-19)25-4/h5-10H,1-4H3
InChIKeyCEDPQOAAUSEXPN-UHFFFAOYSA-N
XLogP3.58
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-methoxy-3-(2-methoxyphenyl)-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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Frequently Asked Questions

What is the IUPAC name of 12-methoxy-3-(2-methoxyphenyl)-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 12-methoxy-3-(2-methoxyphenyl)-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 42630064) is 12-methoxy-3-(2-methoxyphenyl)-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 12-methoxy-3-(2-methoxyphenyl)-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 12-methoxy-3-(2-methoxyphenyl)-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(-c4ccccc4OC)n3c2n1.
What is the InChIKey of 12-methoxy-3-(2-methoxyphenyl)-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 CEDPQOAAUSEXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-17-12(2)21-18(13-7-5-6-8-15(13)24-3)23(17)19-14(20-11)9-10-16(22-19)25-4/h5-10H,1-4H3.
What are the key properties of 12-methoxy-3-(2-methoxyphenyl)-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
12-methoxy-3-(2-methoxyphenyl)-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 334.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-3-(2-methoxyphenyl)-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 42630064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).