6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one

C17H11NO3 — CID 122537723

IUPAC6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
SMILESCc1coc2nc3oc(=O)cc(-c4ccccc4)c3cc12
InChIInChI=1S/C17H11NO3/c1-10-9-20-16-12(10)7-14-13(11-5-3-2-4-6-11)8-15(19)21-17(14)18-16/h2-9H,1H3
InChIKeyFBPJHQIRIZSUBY-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.91
Rot. Bonds1

About 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one

6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one (PubChem CID 122537723) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one.

Molecular Properties

Compound Name6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
PubChem CID122537723
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
SMILESCc1coc2nc3oc(=O)cc(-c4ccccc4)c3cc12
InChIInChI=1S/C17H11NO3/c1-10-9-20-16-12(10)7-14-13(11-5-3-2-4-6-11)8-15(19)21-17(14)18-16/h2-9H,1H3
InChIKeyFBPJHQIRIZSUBY-UHFFFAOYSA-N
XLogP3.91
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
The IUPAC name of 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one (CID 122537723) is 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one.
What is the SMILES notation for 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
The canonical SMILES for 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one is Cc1coc2nc3oc(=O)cc(-c4ccccc4)c3cc12.
What is the InChIKey of 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
The InChIKey is FBPJHQIRIZSUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c1-10-9-20-16-12(10)7-14-13(11-5-3-2-4-6-11)8-15(19)21-17(14)18-16/h2-9H,1H3.
What are the key properties of 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one has a molecular weight of 277.28 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one is sourced from PubChem (CID 122537723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).