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

C22H23N5O4 — CID 166705508

IUPAC8-[(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
SMILESCOc1ccc(CN2C(=O)N3C(=NC(=O)C3C)c3ncc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C22H23N5O4/c1-14-21(28)24-20-19-18(11-16(12-23-19)25-7-9-31-10-8-25)26(22(29)27(14)20)13-15-3-5-17(30-2)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyFTBFZYVARJDGNN-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.04
Rot. Bonds4

About 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

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 (PubChem CID 166705508) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[(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
PubChem CID166705508
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name8-[(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
SMILESCOc1ccc(CN2C(=O)N3C(=NC(=O)C3C)c3ncc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C22H23N5O4/c1-14-21(28)24-20-19-18(11-16(12-23-19)25-7-9-31-10-8-25)26(22(29)27(14)20)13-15-3-5-17(30-2)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyFTBFZYVARJDGNN-UHFFFAOYSA-N
XLogP2.04
TPSA87.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
8-[(3,5-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
CID 146296122
5-tert-butyl-8-ethyl-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 167187020
8-[(3,5-dimethoxyphenyl)methyl]-11-morpholin-4-yl-4-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
CID 146295991
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657
2-[(4-methoxyphenyl)methyl]-5-morpholin-4-yl-6-nitroisoindole-1,3-dione
CID 46374605
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
4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
CID 152510710
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
[2-chloro-5-[[2-[N-[(4-methoxyphenyl)methyl]-3,5-dimorpholin-4-ylanilino]pyrimidin-4-yl]-methylamino]-6-methyl-3-pyridinyl]methanol
CID 86628071
4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine
CID 141410963
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CN2C(=O)N3C(=NC(=O)C3C)c3ncc(N4CCOCC4)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is FTBFZYVARJDGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-14-21(28)24-20-19-18(11-16(12-23-19)25-7-9-31-10-8-25)26(22(29)27(14)20)13-15-3-5-17(30-2)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 421.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166705508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).