(9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione

C19H14N2O4 — CID 101124983

IUPAC(9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione
SMILESCN1C(=O)[C@H]2ON3c4ccccc4C(=O)[C@]3(c3ccccc3)[C@H]2C1=O
InChIInChI=1S/C19H14N2O4/c1-20-17(23)14-15(18(20)24)25-21-13-10-6-5-9-12(13)16(22)19(14,21)11-7-3-2-4-8-11/h2-10,14-15H,1H3/t14-,15+,19+/m1/s1
InChIKeyDBAPQSMZBRBMGQ-VCBZYWHSSA-N
MW334.33 g/mol
LogP1.51
Rot. Bonds1

About (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione

(9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione (PubChem CID 101124983) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione.

Molecular Properties

Compound Name(9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione
PubChem CID101124983
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name(9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione
SMILESCN1C(=O)[C@H]2ON3c4ccccc4C(=O)[C@]3(c3ccccc3)[C@H]2C1=O
InChIInChI=1S/C19H14N2O4/c1-20-17(23)14-15(18(20)24)25-21-13-10-6-5-9-12(13)16(22)19(14,21)11-7-3-2-4-8-11/h2-10,14-15H,1H3/t14-,15+,19+/m1/s1
InChIKeyDBAPQSMZBRBMGQ-VCBZYWHSSA-N
XLogP1.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione?
The IUPAC name of (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione (CID 101124983) is (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione.
What is the SMILES notation for (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione?
The canonical SMILES for (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione is CN1C(=O)[C@H]2ON3c4ccccc4C(=O)[C@]3(c3ccccc3)[C@H]2C1=O.
What is the InChIKey of (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione?
The InChIKey is DBAPQSMZBRBMGQ-VCBZYWHSSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-20-17(23)14-15(18(20)24)25-21-13-10-6-5-9-12(13)16(22)19(14,21)11-7-3-2-4-8-11/h2-10,14-15H,1H3/t14-,15+,19+/m1/s1.
What are the key properties of (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione?
(9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione has a molecular weight of 334.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione is sourced from PubChem (CID 101124983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).