ethyl 2-oxo-1H-quinoline-7-carboxylate

C12H11NO3 — CID 15091487

IUPACethyl 2-oxo-1H-quinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-4-3-8-5-6-11(14)13-10(8)7-9/h3-7H,2H2,1H3,(H,13,14)
InChIKeyNXRFVRONBKNTDI-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.70
Rot. Bonds2

About ethyl 2-oxo-1H-quinoline-7-carboxylate

ethyl 2-oxo-1H-quinoline-7-carboxylate (PubChem CID 15091487) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-oxo-1H-quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1H-quinoline-7-carboxylate
PubChem CID15091487
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 2-oxo-1H-quinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-4-3-8-5-6-11(14)13-10(8)7-9/h3-7H,2H2,1H3,(H,13,14)
InChIKeyNXRFVRONBKNTDI-UHFFFAOYSA-N
XLogP1.70
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 2-heptyl-1H-indole-6-carboxylate
CID 12799931
ethyl 2-undecyl-1H-indole-6-carboxylate
CID 12799929
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate
CID 90129630
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2-chloro-3H-benzimidazole-5-carboxylate
CID 24799637
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
ethyl 2-cyclopropyl-1H-indole-5-carboxylate
CID 155891220
sodium ethyl 6-oxo-1H-pyridine-3-carboxylate
CID 54606839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1H-quinoline-7-carboxylate?
The IUPAC name of ethyl 2-oxo-1H-quinoline-7-carboxylate (CID 15091487) is ethyl 2-oxo-1H-quinoline-7-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1H-quinoline-7-carboxylate?
The canonical SMILES for ethyl 2-oxo-1H-quinoline-7-carboxylate is CCOC(=O)c1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of ethyl 2-oxo-1H-quinoline-7-carboxylate?
The InChIKey is NXRFVRONBKNTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12(15)9-4-3-8-5-6-11(14)13-10(8)7-9/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-oxo-1H-quinoline-7-carboxylate?
ethyl 2-oxo-1H-quinoline-7-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1H-quinoline-7-carboxylate is sourced from PubChem (CID 15091487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).