ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate

C18H13Cl2NO3 — CID 11726135

IUPACethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H13Cl2NO3/c1-2-24-18(23)16-15(11-5-3-4-6-13(11)20)12-9-10(19)7-8-14(12)21-17(16)22/h3-9H,2H2,1H3,(H,21,22)
InChIKeySWYGIPJLKMEMBI-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.68
Rot. Bonds3

About ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate

ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 11726135) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate
PubChem CID11726135
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Nameethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H13Cl2NO3/c1-2-24-18(23)16-15(11-5-3-4-6-13(11)20)12-9-10(19)7-8-14(12)21-17(16)22/h3-9H,2H2,1H3,(H,21,22)
InChIKeySWYGIPJLKMEMBI-UHFFFAOYSA-N
XLogP4.68
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Chloro-2-hydroxy-4-phenylquinolin-3-yl)ethanone
CID 678849
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinecarboxylate
CID 738703
ethyl 6-chloro-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate
CID 5774988
ethyl 4-butyl-6-chloro-2-oxo-1H-quinoline-3-carboxylate
CID 15959221
6-chloro-4-(2-chlorophenyl)-1H-quinolin-2-one
CID 21496150
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 49820663
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 49820664
3-Quinolinecarboxylic acid, 1,2-dihydro-4-((4-chlorophenyl)amino)-1-methyl-2-oxo-, ethyl ester
CID 3058687
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl (E)-3-phenylprop-2-enoate
CID 49820506
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl (E)-3-(3-fluorophenyl)prop-2-enoate
CID 49820507
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde
CID 51031202

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate (CID 11726135) is ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SWYGIPJLKMEMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-2-24-18(23)16-15(11-5-3-4-6-13(11)20)12-9-10(19)7-8-14(12)21-17(16)22/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate?
ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 362.21 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 11726135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).