ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate

C16H15NO4 — CID 54679329

IUPACethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate
SMILESCCOC(=O)c1c(O)c2c([nH]c1=O)CCc1ccccc1-2
InChIInChI=1S/C16H15NO4/c1-2-21-16(20)13-14(18)12-10-6-4-3-5-9(10)7-8-11(12)17-15(13)19/h3-6H,2,7-8H2,1H3,(H2,17,18,19)
InChIKeyIHVYGBUBDPSHQR-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.02
Rot. Bonds2

About ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate

ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate (PubChem CID 54679329) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate
PubChem CID54679329
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate
SMILESCCOC(=O)c1c(O)c2c([nH]c1=O)CCc1ccccc1-2
InChIInChI=1S/C16H15NO4/c1-2-21-16(20)13-14(18)12-10-6-4-3-5-9(10)7-8-11(12)17-15(13)19/h3-6H,2,7-8H2,1H3,(H2,17,18,19)
InChIKeyIHVYGBUBDPSHQR-UHFFFAOYSA-N
XLogP2.02
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate?
The IUPAC name of ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate (CID 54679329) is ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate is CCOC(=O)c1c(O)c2c([nH]c1=O)CCc1ccccc1-2.
What is the InChIKey of ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate?
The InChIKey is IHVYGBUBDPSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-21-16(20)13-14(18)12-10-6-4-3-5-9(10)7-8-11(12)17-15(13)19/h3-6H,2,7-8H2,1H3,(H2,17,18,19).
What are the key properties of ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate?
ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate is sourced from PubChem (CID 54679329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).