[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate

C24H19NO4 — CID 9463836

IUPAC[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C24H19NO4/c26-21(14-29-24(28)18-8-7-15-4-1-2-5-16(15)10-18)19-11-17-6-3-9-25-22(27)13-20(12-19)23(17)25/h1-2,4-5,7-8,10-12H,3,6,9,13-14H2
InChIKeyFBGOVMSIIIGPBO-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.71
Rot. Bonds4

About [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate

[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate (PubChem CID 9463836) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate
PubChem CID9463836
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C24H19NO4/c26-21(14-29-24(28)18-8-7-15-4-1-2-5-16(15)10-18)19-11-17-6-3-9-25-22(27)13-20(12-19)23(17)25/h1-2,4-5,7-8,10-12H,3,6,9,13-14H2
InChIKeyFBGOVMSIIIGPBO-UHFFFAOYSA-N
XLogP3.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate (CID 9463836) is [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2c1)c1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate?
The InChIKey is FBGOVMSIIIGPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-21(14-29-24(28)18-8-7-15-4-1-2-5-16(15)10-18)19-11-17-6-3-9-25-22(27)13-20(12-19)23(17)25/h1-2,4-5,7-8,10-12H,3,6,9,13-14H2.
What are the key properties of [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate?
[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 9463836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).