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

C20H17NO4 — CID 138970607

IUPACethyl 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
SMILESCCOC(=O)c1cn2c3c(cccc3c1=O)-c1ccc(OC)cc1C2
InChIInChI=1S/C20H17NO4/c1-3-25-20(23)17-11-21-10-12-9-13(24-2)7-8-14(12)15-5-4-6-16(18(15)21)19(17)22/h4-9,11H,3,10H2,1-2H3
InChIKeyFWXMJBOAMPDLBU-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.22
Rot. Bonds3

About 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

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 (PubChem CID 138970607) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID138970607
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Nameethyl 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
SMILESCCOC(=O)c1cn2c3c(cccc3c1=O)-c1ccc(OC)cc1C2
InChIInChI=1S/C20H17NO4/c1-3-25-20(23)17-11-21-10-12-9-13(24-2)7-8-14(12)15-5-4-6-16(18(15)21)19(17)22/h4-9,11H,3,10H2,1-2H3
InChIKeyFWXMJBOAMPDLBU-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 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 with MolForge

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Related Compounds

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
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 7-methoxy-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylate
CID 163911801
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 7-methoxy-10-oxo-9H-thioxanthene-1-carboxylate
CID 68861739
ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate
CID 118643323
ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate
CID 150893862
ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 139890841
ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
CID 141442916
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
ethyl 7-methoxy-4-oxo-2-phenyl-1,3-dihydroisoquinoline-3-carboxylate
CID 22507161

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1cn2c3c(cccc3c1=O)-c1ccc(OC)cc1C2.
What is the InChIKey of 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?
The InChIKey is FWXMJBOAMPDLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-3-25-20(23)17-11-21-10-12-9-13(24-2)7-8-14(12)15-5-4-6-16(18(15)21)19(17)22/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 138970607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).