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

C25H26N4O3 — CID 3347631

IUPAC10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCOc1ccc(CN2CCc3c(C)nc4c(-c5ccc(OC)c(OC)c5)cnn4c32)cc1
InChIInChI=1S/C25H26N4O3/c1-16-20-11-12-28(15-17-5-8-19(30-2)9-6-17)25(20)29-24(27-16)21(14-26-29)18-7-10-22(31-3)23(13-18)32-4/h5-10,13-14H,11-12,15H2,1-4H3
InChIKeyDMKMZWXVGFSHIE-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.29
Rot. Bonds6

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

10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 3347631) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID3347631
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCOc1ccc(CN2CCc3c(C)nc4c(-c5ccc(OC)c(OC)c5)cnn4c32)cc1
InChIInChI=1S/C25H26N4O3/c1-16-20-11-12-28(15-17-5-8-19(30-2)9-6-17)25(20)29-24(27-16)21(14-26-29)18-7-10-22(31-3)23(13-18)32-4/h5-10,13-14H,11-12,15H2,1-4H3
InChIKeyDMKMZWXVGFSHIE-UHFFFAOYSA-N
XLogP4.29
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-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

10-(3,4-dimethoxyphenyl)-3-heptyl-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 2768309
ethyl 7-chloro-3-[(4-methoxyphenyl)methyl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate
CID 168874053
3-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255771
7-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671234
2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 50804241
5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82274347
3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1104186
2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 50804236
ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
CID 67515740
2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-[(4-ethylphenyl)methyl]acetamide
CID 50804531
3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46944955
[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865320

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 3347631) is 10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is COc1ccc(CN2CCc3c(C)nc4c(-c5ccc(OC)c(OC)c5)cnn4c32)cc1.
What is the InChIKey of 10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is DMKMZWXVGFSHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-20-11-12-28(15-17-5-8-19(30-2)9-6-17)25(20)29-24(27-16)21(14-26-29)18-7-10-22(31-3)23(13-18)32-4/h5-10,13-14H,11-12,15H2,1-4H3.
What are the key properties of 10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
10-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 430.51 g/mol, XLogP of 4.29, 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-[(4-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 3347631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).