1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

C19H15NO3 — CID 13221822

IUPAC1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
SMILESCC12OC(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C19H15NO3/c1-19-13-10-6-5-9-12(13)16(23-19)14-15(19)18(22)20(17(14)21)11-7-3-2-4-8-11/h2-10,14-16H,1H3
InChIKeyHQJVVBFUWGXFMG-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.79
Rot. Bonds1

About 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione (PubChem CID 13221822) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione.

Molecular Properties

Compound Name1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
PubChem CID13221822
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
SMILESCC12OC(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C19H15NO3/c1-19-13-10-6-5-9-12(13)16(23-19)14-15(19)18(22)20(17(14)21)11-7-3-2-4-8-11/h2-10,14-16H,1H3
InChIKeyHQJVVBFUWGXFMG-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylphenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CID 89372
(3aS,7aR)-7-methyl-2-[3-(trifluoromethyl)phenyl]-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 44454156
(1R,8S,9S,13R)-11-(5-fluoro-2-methylphenyl)-1,8-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 122400117
2-(p-Tolyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
CID 2827893
4,9-Epoxy-1H-benz[f]isoindole-1,3(2H)-dione, 3a,4,9,9a-tetrahydro-2,4,9-triphenyl-
CID 363013
4,7-Dimethyl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 21874863
7-methyl-2-[3-(trifluoromethyl)phenyl]-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 21875291
4-[4-(2-Cyanoethyl)-1,3-dioxo-7-(2-phenylmethoxyethyl)-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile
CID 21875406
(3aS)-7-methyl-2-[3-(trifluoromethyl)phenyl]-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 57636597
4-[(3aS,7aR)-4-(2-cyanoethyl)-1,3-dioxo-7-(2-phenylmethoxyethyl)-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile
CID 58746111
4-[(3aS,7aR)-4-(2-cyanoethyl)-7a-methyl-1,3-dioxo-7-(2-phenylmethoxyethyl)-5,6-dihydro-3aH-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile
CID 60037343
(3aR,7aS)-4,7-dimethyl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 60037501

Frequently Asked Questions

What is the IUPAC name of 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The IUPAC name of 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione (CID 13221822) is 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione.
What is the SMILES notation for 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The canonical SMILES for 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione is CC12OC(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C12.
What is the InChIKey of 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The InChIKey is HQJVVBFUWGXFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-19-13-10-6-5-9-12(13)16(23-19)14-15(19)18(22)20(17(14)21)11-7-3-2-4-8-11/h2-10,14-16H,1H3.
What are the key properties of 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione has a molecular weight of 305.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione is sourced from PubChem (CID 13221822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).