ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate

C16H17ClN2O4 — CID 174567558

IUPACethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(Cl)c(C3CNCCO3)cc2c1=O
InChIInChI=1S/C16H17ClN2O4/c1-2-22-16(21)11-7-19-13-6-12(17)9(5-10(13)15(11)20)14-8-18-3-4-23-14/h5-7,14,18H,2-4,8H2,1H3,(H,19,20)
InChIKeyCEEOZDOZCAEOQF-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.02
Rot. Bonds3

About ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate

ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 174567558) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID174567558
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Nameethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(Cl)c(C3CNCCO3)cc2c1=O
InChIInChI=1S/C16H17ClN2O4/c1-2-22-16(21)11-7-19-13-6-12(17)9(5-10(13)15(11)20)14-8-18-3-4-23-14/h5-7,14,18H,2-4,8H2,1H3,(H,19,20)
InChIKeyCEEOZDOZCAEOQF-UHFFFAOYSA-N
XLogP2.02
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate (CID 174567558) is ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2cc(Cl)c(C3CNCCO3)cc2c1=O.
What is the InChIKey of ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is CEEOZDOZCAEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-2-22-16(21)11-7-19-13-6-12(17)9(5-10(13)15(11)20)14-8-18-3-4-23-14/h5-7,14,18H,2-4,8H2,1H3,(H,19,20).
What are the key properties of ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate?
ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 336.78 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 174567558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).