ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate

C14H11NO4 — CID 141442916

IUPACethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(cccc3c1=O)OC=C2
InChIInChI=1S/C14H11NO4/c1-2-18-14(17)10-8-15-6-7-19-11-5-3-4-9(12(11)15)13(10)16/h3-8H,2H2,1H3
InChIKeyKIOZJUHDMDWZGW-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.00
Rot. Bonds2

About ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate

ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate (PubChem CID 141442916) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate.

Molecular Properties

Compound Nameethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
PubChem CID141442916
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Nameethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(cccc3c1=O)OC=C2
InChIInChI=1S/C14H11NO4/c1-2-18-14(17)10-8-15-6-7-19-11-5-3-4-9(12(11)15)13(10)16/h3-8H,2H2,1H3
InChIKeyKIOZJUHDMDWZGW-UHFFFAOYSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate with MolForge

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Related Compounds

ethyl 8-fluoro-1-(oxiran-2-ylmethyl)-4-oxoquinoline-3-carboxylate
CID 71624259
methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
CID 59094591
ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate
CID 118643323
ethyl 1-[(5-bromo-2-pyridinyl)methyl]-8-fluoro-4-oxoquinoline-3-carboxylate
CID 58206231
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 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate
CID 150893862
ethyl 8-fluoro-6-iodo-1-methyl-4-oxoquinoline-3-carboxylate
CID 21192608
ethyl 1-(3-methylbutyl)-4-oxoquinoline-3-carboxylate
CID 11580110
ethyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate
CID 159602543
ethyl 5-oxo-2,6-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,7,9,11,13,15-heptaene-4-carboxylate
CID 165352312
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598

Frequently Asked Questions

What is the IUPAC name of ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate?
The IUPAC name of ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate (CID 141442916) is ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate.
What is the SMILES notation for ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate?
The canonical SMILES for ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate is CCOC(=O)c1cn2c3c(cccc3c1=O)OC=C2.
What is the InChIKey of ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate?
The InChIKey is KIOZJUHDMDWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-2-18-14(17)10-8-15-6-7-19-11-5-3-4-9(12(11)15)13(10)16/h3-8H,2H2,1H3.
What are the key properties of ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate?
ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate is sourced from PubChem (CID 141442916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).