ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate

C13H12ClNO3 — CID 606180

IUPACethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2ccccc2n(C)c1=O
InChIInChI=1S/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3
InChIKeyXUJQDJGGHFNYDY-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.37
Rot. Bonds2

About ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate

ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 606180) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate
PubChem CID606180
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Nameethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2ccccc2n(C)c1=O
InChIInChI=1S/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3
InChIKeyXUJQDJGGHFNYDY-UHFFFAOYSA-N
XLogP2.37
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.37
H-Bond Donors ≤ 50
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
4-Chloro-1-methylquinolin-2(1H)-one
CID 236926
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
Methyl 4-amino-1-octyl-2-oxoquinoline-3-carboxylate
CID 1952833
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206
ethyl 4-butyl-6-chloro-2-oxo-1H-quinoline-3-carboxylate
CID 15959221
Ethyl 4-(butylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 652591
Ethyl 4-{[2-(dimethylamino)ethyl]amino}-2-hydroxyquinoline-3-carboxylate
CID 913126
Methyl 4-amino-1-heptyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 1607557

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate (CID 606180) is ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(Cl)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is XUJQDJGGHFNYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate?
ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 606180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).