ethyl 3-oxo-4H-quinoline-7-carboxylate

C12H11NO3 — CID 158880603

IUPACethyl 3-oxo-4H-quinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)N=CC(=O)C2
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-4-3-8-5-10(14)7-13-11(8)6-9/h3-4,6-7H,2,5H2,1H3
InChIKeyBCXXKXCSGAFWGI-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.69
Rot. Bonds2

About ethyl 3-oxo-4H-quinoline-7-carboxylate

ethyl 3-oxo-4H-quinoline-7-carboxylate (PubChem CID 158880603) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 3-oxo-4H-quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-4H-quinoline-7-carboxylate
PubChem CID158880603
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 3-oxo-4H-quinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)N=CC(=O)C2
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-4-3-8-5-10(14)7-13-11(8)6-9/h3-4,6-7H,2,5H2,1H3
InChIKeyBCXXKXCSGAFWGI-UHFFFAOYSA-N
XLogP1.69
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-acetyl-2-oxo-3H-indole-6-carboxylate
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diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
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diethyl benzene-1,3-dicarboxylate
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ethyl 3-amino-2H-1,4-benzoxazine-7-carboxylate
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ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
triethyl 1,3-dihydroindene-2,2,5-tricarboxylate
CID 10359519
(4-ethoxycarbonyl-2-methylphenyl)boronic acid
CID 74889503
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
(5-ethoxycarbonyl-2-methylphenyl)boronic acid
CID 130058683
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-4H-quinoline-7-carboxylate?
The IUPAC name of ethyl 3-oxo-4H-quinoline-7-carboxylate (CID 158880603) is ethyl 3-oxo-4H-quinoline-7-carboxylate.
What is the SMILES notation for ethyl 3-oxo-4H-quinoline-7-carboxylate?
The canonical SMILES for ethyl 3-oxo-4H-quinoline-7-carboxylate is CCOC(=O)c1ccc2c(c1)N=CC(=O)C2.
What is the InChIKey of ethyl 3-oxo-4H-quinoline-7-carboxylate?
The InChIKey is BCXXKXCSGAFWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12(15)9-4-3-8-5-10(14)7-13-11(8)6-9/h3-4,6-7H,2,5H2,1H3.
What are the key properties of ethyl 3-oxo-4H-quinoline-7-carboxylate?
ethyl 3-oxo-4H-quinoline-7-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-4H-quinoline-7-carboxylate is sourced from PubChem (CID 158880603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).