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

C18H18N2O3 — CID 4621856

IUPAC10-(4-methoxyphenyl)-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)cc1
InChIInChI=1S/C18H18N2O3/c1-18-11-15(14-5-3-4-6-16(14)23-18)19-17(21)20(18)12-7-9-13(22-2)10-8-12/h3-10,15H,11H2,1-2H3,(H,19,21)
InChIKeyRJFUZJVGKOALAH-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.46
Rot. Bonds2

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

10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one (PubChem CID 4621856) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.

Molecular Properties

Compound Name10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
PubChem CID4621856
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name10-(4-methoxyphenyl)-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)cc1
InChIInChI=1S/C18H18N2O3/c1-18-11-15(14-5-3-4-6-16(14)23-18)19-17(21)20(18)12-7-9-13(22-2)10-8-12/h3-10,15H,11H2,1-2H3,(H,19,21)
InChIKeyRJFUZJVGKOALAH-UHFFFAOYSA-N
XLogP3.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The IUPAC name of 10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one (CID 4621856) is 10-(4-methoxyphenyl)-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-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The canonical SMILES for 10-(4-methoxyphenyl)-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)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The InChIKey is RJFUZJVGKOALAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-18-11-15(14-5-3-4-6-16(14)23-18)19-17(21)20(18)12-7-9-13(22-2)10-8-12/h3-10,15H,11H2,1-2H3,(H,19,21).
What are the key properties of 10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one has a molecular weight of 310.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one is sourced from PubChem (CID 4621856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).