10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

C19H19ClN2O3 — CID 3244353

IUPAC10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O3/c1-3-24-16-9-5-8-14-15-11-19(2,25-17(14)16)22(18(23)21-15)13-7-4-6-12(20)10-13/h4-10,15H,3,11H2,1-2H3,(H,21,23)
InChIKeyHCGQFOIYNNZADP-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.51
Rot. Bonds3

About 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 3244353) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
PubChem CID3244353
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O3/c1-3-24-16-9-5-8-14-15-11-19(2,25-17(14)16)22(18(23)21-15)13-7-4-6-12(20)10-13/h4-10,15H,3,11H2,1-2H3,(H,21,23)
InChIKeyHCGQFOIYNNZADP-UHFFFAOYSA-N
XLogP4.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The IUPAC name of 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 3244353) is 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.
What is the SMILES notation for 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The canonical SMILES for 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The InChIKey is HCGQFOIYNNZADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-3-24-16-9-5-8-14-15-11-19(2,25-17(14)16)22(18(23)21-15)13-7-4-6-12(20)10-13/h4-10,15H,3,11H2,1-2H3,(H,21,23).
What are the key properties of 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 358.83 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chlorophenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 3244353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).