10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

C19H20N2O4 — CID 3236548

IUPAC10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
SMILESCOc1ccc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc1OC
InChIInChI=1S/C19H20N2O4/c1-19-11-14(13-6-4-5-7-15(13)25-19)20-18(22)21(19)12-8-9-16(23-2)17(10-12)24-3/h4-10,14H,11H2,1-3H3,(H,20,22)
InChIKeyMOTNRSAGXANVSI-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.47
Rot. Bonds3

About 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one (PubChem CID 3236548) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.

Molecular Properties

Compound Name10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
PubChem CID3236548
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
SMILESCOc1ccc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc1OC
InChIInChI=1S/C19H20N2O4/c1-19-11-14(13-6-4-5-7-15(13)25-19)20-18(22)21(19)12-8-9-16(23-2)17(10-12)24-3/h4-10,14H,11H2,1-3H3,(H,20,22)
InChIKeyMOTNRSAGXANVSI-UHFFFAOYSA-N
XLogP3.47
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The IUPAC name of 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one (CID 3236548) is 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.
What is the SMILES notation for 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The canonical SMILES for 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one is COc1ccc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc1OC.
What is the InChIKey of 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The InChIKey is MOTNRSAGXANVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19-11-14(13-6-4-5-7-15(13)25-19)20-18(22)21(19)12-8-9-16(23-2)17(10-12)24-3/h4-10,14H,11H2,1-3H3,(H,20,22).
What are the key properties of 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one has a molecular weight of 340.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one is sourced from PubChem (CID 3236548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).