ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate

C19H15Cl2NO3 — CID 141399849

IUPACethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C19H15Cl2NO3/c1-3-25-19(24)16-17(12-6-5-11(20)9-14(12)21)22-15-7-4-10(2)8-13(15)18(16)23/h4-9H,3H2,1-2H3,(H,22,23)
InChIKeyRLCFNHQIXMQPBW-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.99
Rot. Bonds3

About ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate

ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 141399849) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID141399849
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Nameethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C19H15Cl2NO3/c1-3-25-19(24)16-17(12-6-5-11(20)9-14(12)21)22-15-7-4-10(2)8-13(15)18(16)23/h4-9H,3H2,1-2H3,(H,22,23)
InChIKeyRLCFNHQIXMQPBW-UHFFFAOYSA-N
XLogP4.99
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 22480990
ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate
CID 141399841
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
ethyl 2-(3,4-dichlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884108
ethyl 7-chloro-4-oxo-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinoline-3-carboxylate
CID 67607696
2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59775439
ethyl 2-but-3-enyl-5-chloro-1H-indole-3-carboxylate
CID 23726084
ethyl 3-(4-chlorophenyl)sulfanyl-5-methyl-1H-indole-2-carboxylate
CID 71625158
ethyl 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
CID 7585650
ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58170089
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
ethyl 3-(2-amino-4-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate
CID 21473963

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate (CID 141399849) is ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(C)cc2c1=O.
What is the InChIKey of ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is RLCFNHQIXMQPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-3-25-19(24)16-17(12-6-5-11(20)9-14(12)21)22-15-7-4-10(2)8-13(15)18(16)23/h4-9H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 376.24 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 141399849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).