methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate

C22H16N2O3 — CID 24814275

IUPACmethyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate
SMILESCOC(=O)c1c2n(c(=O)c3ccccc13)Cc1nc3ccccc3c(C)c1-2
InChIInChI=1S/C22H16N2O3/c1-12-13-7-5-6-10-16(13)23-17-11-24-20(18(12)17)19(22(26)27-2)14-8-3-4-9-15(14)21(24)25/h3-10H,11H2,1-2H3
InChIKeyOZPNLPDBZQYAJF-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.67
Rot. Bonds1

About methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate

methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate (PubChem CID 24814275) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate
PubChem CID24814275
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Namemethyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate
SMILESCOC(=O)c1c2n(c(=O)c3ccccc13)Cc1nc3ccccc3c(C)c1-2
InChIInChI=1S/C22H16N2O3/c1-12-13-7-5-6-10-16(13)23-17-11-24-20(18(12)17)19(22(26)27-2)14-8-3-4-9-15(14)21(24)25/h3-10H,11H2,1-2H3
InChIKeyOZPNLPDBZQYAJF-UHFFFAOYSA-N
XLogP3.67
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate?
The IUPAC name of methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate (CID 24814275) is methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate.
What is the SMILES notation for methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate?
The canonical SMILES for methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate is COC(=O)c1c2n(c(=O)c3ccccc13)Cc1nc3ccccc3c(C)c1-2.
What is the InChIKey of methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate?
The InChIKey is OZPNLPDBZQYAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-12-13-7-5-6-10-16(13)23-17-11-24-20(18(12)17)19(22(26)27-2)14-8-3-4-9-15(14)21(24)25/h3-10H,11H2,1-2H3.
What are the key properties of methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate?
methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate is sourced from PubChem (CID 24814275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).