ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C12H10ClNO4 — CID 54713548

IUPACethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C12H10ClNO4/c1-2-18-12(17)9-10(15)7-5-6(13)3-4-8(7)14-11(9)16/h3-5H,2H2,1H3,(H2,14,15,16)
InChIKeyBLCMDCMIJFNTGK-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.06
Rot. Bonds2

About ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 54713548) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID54713548
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Nameethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C12H10ClNO4/c1-2-18-12(17)9-10(15)7-5-6(13)3-4-8(7)14-11(9)16/h3-5H,2H2,1H3,(H2,14,15,16)
InChIKeyBLCMDCMIJFNTGK-UHFFFAOYSA-N
XLogP2.06
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
CID 54682929
6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
CID 448724
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
CID 448729
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
Ethyl 1-ethyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylate
CID 54680568
6-chloro-4-(cyclopentoxy)-3-propyl-1H-quinolin-2-one
CID 503365
6-chloro-4-(cyclopentoxy)-3-ethyl-1H-quinolin-2-one
CID 503373
6-chloro-4-(cyclopentoxy)-3-sec-butyl-1H-quinolin-2-one
CID 503374
6-chloro-4-(cyclopentoxy)-3-isobutyl-1H-quinolin-2-one
CID 503375
6-chloro-4-(cyclobutoxy)-3-propyl-1H-quinolin-2-one
CID 503376
6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one
CID 503377
6-chloro-4-(cyclobutylmethoxy)-3-propyl-1H-quinolin-2-one
CID 503378

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 54713548) is ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is BLCMDCMIJFNTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-2-18-12(17)9-10(15)7-5-6(13)3-4-8(7)14-11(9)16/h3-5H,2H2,1H3,(H2,14,15,16).
What are the key properties of ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 267.67 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 54713548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).