Ethyl 6-Quinolinecarboxylate - CAS 73987-38-9

Catalog:	BB034969
Product Name:	Ethyl 6-Quinolinecarboxylate
CAS:	73987-38-9
Synonyms:	6-quinolinecarboxylic acid ethyl ester; ethyl quinoline-6-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl quinoline-6-carboxylate
Description:	Ethyl 6-Quinolinecarboxylate (CAS# 73987-38-9) is a useful research chemical.
Molecular Weight:	201.22
Molecular Formula:	C12H11NO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(C=C1)N=CC=C2
InChI:	InChI=1S/C12H11NO2/c1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11/h3-8H,2H2,1H3
InChI Key:	SVHHAAQTOHCWJX-UHFFFAOYSA-N
Boiling Point:	328.3 °C at 760 mmHg
Density:	1.175 g/cm³
MDL:	MFCD00047612
LogP:	2.41150

Publication Number	Title	Priority Date
WO-2021136244-A1	Tricyclic compound, and preparation method therefor and medical use thereof	20191230
CN-107056810-A	A kind of preparation method of Carbostyril carboxylic acid derivatives	20170209
CN-107056810-B	A kind of preparation method of Carbostyril carboxylic acid derivatives	20170209
CN-108699065-B	Tricyclic compounds and compositions as kinase inhibitors	20151218
KR-20180031772-A	Useful heterocyclic compounds useful as modulators of TNF alpha	20150803

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Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.078978594
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6