6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one

C18H13NO3 — CID 122537725

IUPAC6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
SMILESCc1c(-c2ccccc2)c2cc3c(C)coc3nc2oc1=O
InChIInChI=1S/C18H13NO3/c1-10-9-21-16-13(10)8-14-15(12-6-4-3-5-7-12)11(2)18(20)22-17(14)19-16/h3-9H,1-2H3
InChIKeyBMUWAWFVBVCNCO-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.22
Rot. Bonds1

About 6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one

6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one (PubChem CID 122537725) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6,11-dimethyl-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 Name6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
PubChem CID122537725
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
SMILESCc1c(-c2ccccc2)c2cc3c(C)coc3nc2oc1=O
InChIInChI=1S/C18H13NO3/c1-10-9-21-16-13(10)8-14-15(12-6-4-3-5-7-12)11(2)18(20)22-17(14)19-16/h3-9H,1-2H3
InChIKeyBMUWAWFVBVCNCO-UHFFFAOYSA-N
XLogP4.22
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one with MolForge

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Related Compounds

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
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene
CID 158895580
2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 907369
5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376002
9-methyl-10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
CID 707799
6,8-dibromo-4-methyl-3-phenylchromen-2-one
CID 57376729
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
ethyl 2-ethyl-5-methyl-6-oxo-4-phenylpyran-3-carboxylate
CID 101231625
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
3-methyl-2,4-diphenylnaphthalen-1-amine
CID 174555006
6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one
CID 14117921

Frequently Asked Questions

What is the IUPAC name of 6,11-dimethyl-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 6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one (CID 122537725) is 6,11-dimethyl-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 6,11-dimethyl-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 6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one is Cc1c(-c2ccccc2)c2cc3c(C)coc3nc2oc1=O.
What is the InChIKey of 6,11-dimethyl-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 BMUWAWFVBVCNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-10-9-21-16-13(10)8-14-15(12-6-4-3-5-7-12)11(2)18(20)22-17(14)19-16/h3-9H,1-2H3.
What are the key properties of 6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
6,11-dimethyl-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 291.31 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dimethyl-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 122537725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).