5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

C21H22N6O2 — CID 43864843

IUPAC5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESCc1nc2nc3ccn(CCN4CCOCC4)c(=O)c3c(-c3ccccc3)n2n1
InChIInChI=1S/C21H22N6O2/c1-15-22-21-23-17-7-8-26(10-9-25-11-13-29-14-12-25)20(28)18(17)19(27(21)24-15)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3
InChIKeyQBCQZQLTKKSZDH-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.75
Rot. Bonds4

About 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (PubChem CID 43864843) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.

Molecular Properties

Compound Name5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
PubChem CID43864843
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESCc1nc2nc3ccn(CCN4CCOCC4)c(=O)c3c(-c3ccccc3)n2n1
InChIInChI=1S/C21H22N6O2/c1-15-22-21-23-17-7-8-26(10-9-25-11-13-29-14-12-25)20(28)18(17)19(27(21)24-15)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3
InChIKeyQBCQZQLTKKSZDH-UHFFFAOYSA-N
XLogP1.75
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one with MolForge

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Related Compounds

2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43864994
4-methyl-11-(2-piperidin-1-ylethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 17198719
2-(5-methyl-1H-1,2,4-triazol-3-yl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865002
3-benzyl-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496515
6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 19244973
6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
CID 58094188
2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethylamino)quinazolin-4-one
CID 131748521
8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865048
2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865095
4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 126467944
2-ethyl-5-(2-morpholin-4-ylethoxy)-3-phenylquinazolin-4-one
CID 166785362
5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one
CID 2325577

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The IUPAC name of 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (CID 43864843) is 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.
What is the SMILES notation for 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The canonical SMILES for 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is Cc1nc2nc3ccn(CCN4CCOCC4)c(=O)c3c(-c3ccccc3)n2n1.
What is the InChIKey of 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The InChIKey is QBCQZQLTKKSZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-15-22-21-23-17-7-8-26(10-9-25-11-13-29-14-12-25)20(28)18(17)19(27(21)24-15)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3.
What are the key properties of 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one has a molecular weight of 390.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is sourced from PubChem (CID 43864843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).