10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C20H24N4O3 — CID 2768310

IUPAC10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCOCCN1CCc2c(C)nc3c(-c4ccc(OC)c(OC)c4)cnn3c21
InChIInChI=1S/C20H24N4O3/c1-13-15-7-8-23(9-10-25-2)20(15)24-19(22-13)16(12-21-24)14-5-6-17(26-3)18(11-14)27-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyZVIDIJKDDMAUSM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.73
Rot. Bonds6

About 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 2768310) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID2768310
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCOCCN1CCc2c(C)nc3c(-c4ccc(OC)c(OC)c4)cnn3c21
InChIInChI=1S/C20H24N4O3/c1-13-15-7-8-23(9-10-25-2)20(15)24-19(22-13)16(12-21-24)14-5-6-17(26-3)18(11-14)27-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyZVIDIJKDDMAUSM-UHFFFAOYSA-N
XLogP2.73
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene with MolForge

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Related Compounds

Unii-XX8E5WP7FS
CID 118009787
Bms-561388
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1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
Methyl substituted pyrazole, 28
CID 23648676
3-(3,4-dimethoxyphenyl)-N5-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
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4-(6-(4-(2-Morpholinoethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)benzene-1,2-diol
CID 52944268
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 2768310) is 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is COCCN1CCc2c(C)nc3c(-c4ccc(OC)c(OC)c4)cnn3c21.
What is the InChIKey of 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is ZVIDIJKDDMAUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-15-7-8-23(9-10-25-2)20(15)24-19(22-13)16(12-21-24)14-5-6-17(26-3)18(11-14)27-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 368.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 2768310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).