methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate

C21H14N2O3 — CID 10593388

IUPACmethyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccccc32)c(=O)c2c1[nH]c1ccccc12
InChIInChI=1S/C21H14N2O3/c1-26-21(25)14-10-13-11-6-2-4-8-15(11)23-19(13)20(24)17-12-7-3-5-9-16(12)22-18(14)17/h2-10,22-23H,1H3
InChIKeyRLYAECUXPZNGJY-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.10
Rot. Bonds1

About methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate

methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate (PubChem CID 10593388) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
PubChem CID10593388
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Namemethyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccccc32)c(=O)c2c1[nH]c1ccccc12
InChIInChI=1S/C21H14N2O3/c1-26-21(25)14-10-13-11-6-2-4-8-15(11)23-19(13)20(24)17-12-7-3-5-9-16(12)22-18(14)17/h2-10,22-23H,1H3
InChIKeyRLYAECUXPZNGJY-UHFFFAOYSA-N
XLogP4.10
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate
CID 102593234
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
methyl 2-bromo-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272509
methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
CID 631008
methyl 2,5-dioxo-10H-pyrano[2,3-b]quinoline-3-carboxylate
CID 23740281
methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272491
methyl 9H-pyrido[3,4-b]indole-4-carboxylate
CID 11345149
ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
CID 143617162
methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate
CID 66604900
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
dimethyl 4-benzylsulfanyl-9H-carbazole-1,2-dicarboxylate
CID 14437284

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate?
The IUPAC name of methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate (CID 10593388) is methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate.
What is the SMILES notation for methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate?
The canonical SMILES for methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate is COC(=O)c1cc2c([nH]c3ccccc32)c(=O)c2c1[nH]c1ccccc12.
What is the InChIKey of methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate?
The InChIKey is RLYAECUXPZNGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c1-26-21(25)14-10-13-11-6-2-4-8-15(11)23-19(13)20(24)17-12-7-3-5-9-16(12)22-18(14)17/h2-10,22-23H,1H3.
What are the key properties of methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate?
methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 4.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate is sourced from PubChem (CID 10593388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).