ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate

C20H17NO4 — CID 138970460

IUPACethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(cc(OC)cc3c1=O)-c1ccccc1C2
InChIInChI=1S/C20H17NO4/c1-3-25-20(23)17-11-21-10-12-6-4-5-7-14(12)15-8-13(24-2)9-16(18(15)21)19(17)22/h4-9,11H,3,10H2,1-2H3
InChIKeyOXYYBCIPENPYQY-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.22
Rot. Bonds3

About ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate

ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate (PubChem CID 138970460) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate.

Molecular Properties

Compound Nameethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate
PubChem CID138970460
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Nameethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(cc(OC)cc3c1=O)-c1ccccc1C2
InChIInChI=1S/C20H17NO4/c1-3-25-20(23)17-11-21-10-12-6-4-5-7-14(12)15-8-13(24-2)9-16(18(15)21)19(17)22/h4-9,11H,3,10H2,1-2H3
InChIKeyOXYYBCIPENPYQY-UHFFFAOYSA-N
XLogP3.22
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate with MolForge

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Related Compounds

ethyl 15-ethoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate
CID 138970459
ethyl 5-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17),14-heptaene-11-carboxylate
CID 138970607
ethyl 7-methoxy-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylate
CID 163911801
ethyl 6,8-dimethoxy-1-(3-oxo-1H-isoindole-2-carbonyl)isoquinoline-4-carboxylate
CID 68613148
ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate
CID 20567393
ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
ethane;ethyl 7-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylate
CID 143325328
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
CID 10850045
ethyl 2-(4-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetate
CID 101264163
1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82250070

Frequently Asked Questions

What is the IUPAC name of ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate?
The IUPAC name of ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate (CID 138970460) is ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate.
What is the SMILES notation for ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate?
The canonical SMILES for ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate is CCOC(=O)c1cn2c3c(cc(OC)cc3c1=O)-c1ccccc1C2.
What is the InChIKey of ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate?
The InChIKey is OXYYBCIPENPYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-3-25-20(23)17-11-21-10-12-6-4-5-7-14(12)15-8-13(24-2)9-16(18(15)21)19(17)22/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate?
ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate is sourced from PubChem (CID 138970460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).