CAS 73987-39-0 | 3-Quinolinecarboxylicacid, 4-hydroxy-2-methyl-, ethyl ester | CAS Number 73987-39-0

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73987-39-0 | 3-Quinolinecarboxylicacid, 4-hydroxy-2-methyl-, ethyl ester

CAS No: 73987-39-0 Catalog No: AG005IQ6 MDL No:

Product Description

Catalog Number:

AG005IQ6

Chemical Name:

3-Quinolinecarboxylicacid, 4-hydroxy-2-methyl-, ethyl ester

CAS Number:

73987-39-0

Molecular Formula:

C13H13NO3

Molecular Weight:

231.2472

IUPAC Name:

ethyl 2-methyl-4-oxo-1H-quinoline-3-carboxylate

InChI:

InChI=1S/C13H13NO3/c1-3-17-13(16)11-8(2)14-10-7-5-4-6-9(10)12(11)15/h4-7H,3H2,1-2H3,(H,14,15)

InChI Key:

PHRRSYMXOIKRAW-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(C)nc2c(c1O)cccc2

Properties

Complexity:

373

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.251g/mol

Monoisotopic Mass:

231.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Identification of 4-hydroxyquinolines inhibitors of p300/CBP histone acetyltransferases.	Bioorganic & medicinal chemistry letters 20090215
Small-molecule inhibitors of histone acetyltransferase activity: identification and biological properties.	Journal of medicinal chemistry 20061116