8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one

C26H30N4O3 — CID 146301230

IUPAC8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
SMILESCOc1ccc(Cn2c(=O)n3cc(CC(C)C)cc3c3ncc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C26H30N4O3/c1-18(2)12-20-13-23-25-24(14-21(15-27-25)28-8-10-33-11-9-28)29(26(31)30(23)17-20)16-19-4-6-22(32-3)7-5-19/h4-7,13-15,17-18H,8-12,16H2,1-3H3
InChIKeyXWFHFWCAVKKESC-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.74
Rot. Bonds6

About 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one

8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one (PubChem CID 146301230) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
PubChem CID146301230
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
SMILESCOc1ccc(Cn2c(=O)n3cc(CC(C)C)cc3c3ncc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C26H30N4O3/c1-18(2)12-20-13-23-25-24(14-21(15-27-25)28-8-10-33-11-9-28)29(26(31)30(23)17-20)16-19-4-6-22(32-3)7-5-19/h4-7,13-15,17-18H,8-12,16H2,1-3H3
InChIKeyXWFHFWCAVKKESC-UHFFFAOYSA-N
XLogP3.74
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one with MolForge

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Related Compounds

4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
CID 152510710
5-tert-butyl-8-[(4-methoxyphenyl)methyl]-11-piperazin-1-yl-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 171772740
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657
7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652220
8-[(4-chlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-11-morpholin-4-yl-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146301113
4-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-4-propan-2-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1,8,10,12-tetraen-7-one
CID 175982571
8-[(4-chlorophenyl)methyl]-5-[(2-methyl-3-pyridinyl)methyl]-11-morpholin-4-yl-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146296052
8-[(4-methoxyphenyl)methyl]-5-methyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione
CID 166705508
4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine
CID 59292396
8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
CID 146296121
4-[1-(4-methoxyphenyl)benzimidazol-5-yl]morpholine
CID 164852088
4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine
CID 141410963

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?
The IUPAC name of 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one (CID 146301230) is 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one.
What is the SMILES notation for 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?
The canonical SMILES for 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one is COc1ccc(Cn2c(=O)n3cc(CC(C)C)cc3c3ncc(N4CCOCC4)cc32)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?
The InChIKey is XWFHFWCAVKKESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18(2)12-20-13-23-25-24(14-21(15-27-25)28-8-10-33-11-9-28)29(26(31)30(23)17-20)16-19-4-6-22(32-3)7-5-19/h4-7,13-15,17-18H,8-12,16H2,1-3H3.
What are the key properties of 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?
8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one has a molecular weight of 446.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one is sourced from PubChem (CID 146301230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).