ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate

C14H14ClNO3 — CID 102007985

IUPACethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(CC)c2ccc(Cl)cc12
InChIInChI=1S/C14H14ClNO3/c1-3-16-12-6-5-9(15)7-10(12)11(8-13(16)17)14(18)19-4-2/h5-8H,3-4H2,1-2H3
InChIKeyHZQFZCOTKVWXPR-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.85
Rot. Bonds3

About ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate

ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate (PubChem CID 102007985) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate
PubChem CID102007985
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Nameethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(CC)c2ccc(Cl)cc12
InChIInChI=1S/C14H14ClNO3/c1-3-16-12-6-5-9(15)7-10(12)11(8-13(16)17)14(18)19-4-2/h5-8H,3-4H2,1-2H3
InChIKeyHZQFZCOTKVWXPR-UHFFFAOYSA-N
XLogP2.85
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate?
The IUPAC name of ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate (CID 102007985) is ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate is CCOC(=O)c1cc(=O)n(CC)c2ccc(Cl)cc12.
What is the InChIKey of ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate?
The InChIKey is HZQFZCOTKVWXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-3-16-12-6-5-9(15)7-10(12)11(8-13(16)17)14(18)19-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate?
ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate has a molecular weight of 279.72 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1-ethyl-2-oxoquinoline-4-carboxylate is sourced from PubChem (CID 102007985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).