methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate

C19H24N2O3 — CID 14081834

IUPACmethyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate
SMILESCOC(=O)c1cc2c(cn1)CCCN1CCC3=CCC(OC)CC321
InChIInChI=1S/C19H24N2O3/c1-23-15-6-5-14-7-9-21-8-3-4-13-12-20-17(18(22)24-2)10-16(13)19(14,21)11-15/h5,10,12,15H,3-4,6-9,11H2,1-2H3
InChIKeyOHBQZXBAGISRFS-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.45
Rot. Bonds2

About methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate

methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate (PubChem CID 14081834) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate.

Molecular Properties

Compound Namemethyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate
PubChem CID14081834
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate
SMILESCOC(=O)c1cc2c(cn1)CCCN1CCC3=CCC(OC)CC321
InChIInChI=1S/C19H24N2O3/c1-23-15-6-5-14-7-9-21-8-3-4-13-12-20-17(18(22)24-2)10-16(13)19(14,21)11-15/h5,10,12,15H,3-4,6-9,11H2,1-2H3
InChIKeyOHBQZXBAGISRFS-UHFFFAOYSA-N
XLogP2.45
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate?
The IUPAC name of methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate (CID 14081834) is methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate.
What is the SMILES notation for methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate?
The canonical SMILES for methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate is COC(=O)c1cc2c(cn1)CCCN1CCC3=CCC(OC)CC321.
What is the InChIKey of methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate?
The InChIKey is OHBQZXBAGISRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-15-6-5-14-7-9-21-8-3-4-13-12-20-17(18(22)24-2)10-16(13)19(14,21)11-15/h5,10,12,15H,3-4,6-9,11H2,1-2H3.
What are the key properties of methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate?
methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxylate is sourced from PubChem (CID 14081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).