methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate

C19H20N2O3 — CID 74348300

IUPACmethyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate
SMILESCOC(=O)C1c2[nH]c3ccccc3c2C2C3CCN2CCC1C3=O
InChIInChI=1S/C19H20N2O3/c1-24-19(23)15-11-6-8-21-9-7-12(18(11)22)17(21)14-10-4-2-3-5-13(10)20-16(14)15/h2-5,11-12,15,17,20H,6-9H2,1H3
InChIKeyKPPXJCJWHYXYCN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.39
Rot. Bonds1

About methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate

methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate (PubChem CID 74348300) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate.

Molecular Properties

Compound Namemethyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate
PubChem CID74348300
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate
SMILESCOC(=O)C1c2[nH]c3ccccc3c2C2C3CCN2CCC1C3=O
InChIInChI=1S/C19H20N2O3/c1-24-19(23)15-11-6-8-21-9-7-12(18(11)22)17(21)14-10-4-2-3-5-13(10)20-16(14)15/h2-5,11-12,15,17,20H,6-9H2,1H3
InChIKeyKPPXJCJWHYXYCN-UHFFFAOYSA-N
XLogP2.39
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate with MolForge

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Related Compounds

methyl (1R,2S,16E)-16-ethylidene-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
CID 135563728
methyl (1S,12R,16S)-15-[2,2-bis(ethylsulfanyl)ethyl]-16-hydroxy-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene-11-carboxylate
CID 50992537
dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate
CID 100955123
methyl (1S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 15287603
methyl (2R,3R,9R,10R,13R)-10-hydroxy-11-oxa-6,15-diazahexacyclo[12.7.0.02,6.03,10.09,13.016,21]henicosa-1(14),16,18,20-tetraene-13-carboxylate
CID 177410593
methyl (1R,11R,12S,13Z)-13-ethylidene-17-formyl-3,18-diazapentacyclo[10.6.1.02,10.04,9.014,18]nonadeca-2(10),4,6,8,14,16-hexaene-11-carboxylate
CID 163193290
methyl (1R,11R,12R,13Z)-13-ethylidene-17-formyl-3,18-diazapentacyclo[10.6.1.02,10.04,9.014,18]nonadeca-2(10),4,6,8,14,16-hexaene-11-carboxylate
CID 134837076
methyl 4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 14218278
methyl (1S,15S,18S,19R,20S)-18-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CID 158617037
methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-11-carboxylate
CID 57141236
methyl (3S)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 10776668
methyl 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-4-carboxylate
CID 137176430

Frequently Asked Questions

What is the IUPAC name of methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate?
The IUPAC name of methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate (CID 74348300) is methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate.
What is the SMILES notation for methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate?
The canonical SMILES for methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate is COC(=O)C1c2[nH]c3ccccc3c2C2C3CCN2CCC1C3=O.
What is the InChIKey of methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate?
The InChIKey is KPPXJCJWHYXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-19(23)15-11-6-8-21-9-7-12(18(11)22)17(21)14-10-4-2-3-5-13(10)20-16(14)15/h2-5,11-12,15,17,20H,6-9H2,1H3.
What are the key properties of methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate?
methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate is sourced from PubChem (CID 74348300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).