ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate

C19H14Cl3NO2 — CID 141399841

IUPACethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2Cl)nc2ccc(C)cc2c1Cl
InChIInChI=1S/C19H14Cl3NO2/c1-3-25-19(24)16-17(22)13-8-10(2)4-7-15(13)23-18(16)12-6-5-11(20)9-14(12)21/h4-9H,3H2,1-2H3
InChIKeyRLYBFMPEDWGMLX-UHFFFAOYSA-N
MW394.69 g/mol
LogP6.35
Rot. Bonds3

About ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate

ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate (PubChem CID 141399841) has the molecular formula C19H14Cl3NO2 and a molecular weight of 394.69 g/mol. Its IUPAC name is ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate
PubChem CID141399841
Molecular FormulaC19H14Cl3NO2
Molecular Weight394.69 g/mol
Exact Mass393.01
IUPAC Nameethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2Cl)nc2ccc(C)cc2c1Cl
InChIInChI=1S/C19H14Cl3NO2/c1-3-25-19(24)16-17(22)13-8-10(2)4-7-15(13)23-18(16)12-6-5-11(20)9-14(12)21/h4-9H,3H2,1-2H3
InChIKeyRLYBFMPEDWGMLX-UHFFFAOYSA-N
XLogP6.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
CID 21050828
ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141399849
ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
CID 2736409
ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 22677283
ethyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-2,4-dimethylquinoline-3-carboxylate
CID 154264775
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate
CID 86683022
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030
2-O-ethyl 3-O,4-O-dimethyl 6-chloroquinoline-2,3,4-tricarboxylate
CID 175839790
ethyl 2-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 5158202
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridine-2-carboxylate
CID 10479445

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate (CID 141399841) is ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)nc2ccc(C)cc2c1Cl.
What is the InChIKey of ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate?
The InChIKey is RLYBFMPEDWGMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO2/c1-3-25-19(24)16-17(22)13-8-10(2)4-7-15(13)23-18(16)12-6-5-11(20)9-14(12)21/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate?
ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate has a molecular weight of 394.69 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 141399841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).