15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

C21H24N4O2 — CID 46953149

IUPAC15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCOc1cccc(CN2C3CCC2c2cnc4cc(C)nn4c2C3)c1OC
InChIInChI=1S/C21H24N4O2/c1-13-9-20-22-11-16-17-8-7-15(10-18(16)25(20)23-13)24(17)12-14-5-4-6-19(26-2)21(14)27-3/h4-6,9,11,15,17H,7-8,10,12H2,1-3H3
InChIKeyZGRLASSXVAQJFG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.32
Rot. Bonds4

About 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (PubChem CID 46953149) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
PubChem CID46953149
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCOc1cccc(CN2C3CCC2c2cnc4cc(C)nn4c2C3)c1OC
InChIInChI=1S/C21H24N4O2/c1-13-9-20-22-11-16-17-8-7-15(10-18(16)25(20)23-13)24(17)12-14-5-4-6-19(26-2)21(14)27-3/h4-6,9,11,15,17H,7-8,10,12H2,1-3H3
InChIKeyZGRLASSXVAQJFG-UHFFFAOYSA-N
XLogP3.32
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (CID 46953149) is 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is COc1cccc(CN2C3CCC2c2cnc4cc(C)nn4c2C3)c1OC.
What is the InChIKey of 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is ZGRLASSXVAQJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-9-20-22-11-16-17-8-7-15(10-18(16)25(20)23-13)24(17)12-14-5-4-6-19(26-2)21(14)27-3/h4-6,9,11,15,17H,7-8,10,12H2,1-3H3.
What are the key properties of 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 364.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(2,3-dimethoxyphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 46953149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).