methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C11H8ClNO4 — CID 54695867

IUPACmethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H8ClNO4/c1-17-11(16)8-9(14)6-3-2-5(12)4-7(6)13-10(8)15/h2-4H,1H3,(H2,13,14,15)
InChIKeyGEUWRNTWGHPTPU-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.67
Rot. Bonds1

About methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 54695867) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID54695867
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Namemethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H8ClNO4/c1-17-11(16)8-9(14)6-3-2-5(12)4-7(6)13-10(8)15/h2-4H,1H3,(H2,13,14,15)
InChIKeyGEUWRNTWGHPTPU-UHFFFAOYSA-N
XLogP1.67
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one
CID 54697468
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
8-Chloro-3-hydroxy-1H-benzo[b]azepine-2,5-dione
CID 9815930
Methyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54676766
4-Chloro-2-acetamidobenzoic acid
CID 239963
4-Chloro-2-(pentanoylamino)benzoic acid
CID 2300919
4-Chloro-2-(propanoylamino)benzoic acid
CID 1331752
4-Hydroxy-7-chloroquinolone,3-(M-hydroxyphenylpr
CID 54684623
7-Chloro-3-(cyclopropanecarbonyl)-4-hydroxyquinolin-2(1H)-one
CID 54687453
1-(7-Chloro-2,4-dihydroxyquinolin-3-yl)-2-phenylethan-1-one
CID 54726294
3-(3-methoxyphenyl)prop-2-ynyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 54735337
6-(4-chlorophenyl)-4-(hydroxyamino)-2-oxo-N-phenylpyran-3-carboxamide
CID 76325436

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 54695867) is methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is GEUWRNTWGHPTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c1-17-11(16)8-9(14)6-3-2-5(12)4-7(6)13-10(8)15/h2-4H,1H3,(H2,13,14,15).
What are the key properties of methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 253.64 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 54695867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).