ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate

C13H11Cl2NO2 — CID 21050828

IUPACethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc2ccc(C)cc2c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-3-18-13(17)10-11(14)8-6-7(2)4-5-9(8)16-12(10)15/h4-6H,3H2,1-2H3
InChIKeyBSQMPZFIOXDTBX-UHFFFAOYSA-N
MW284.14 g/mol
LogP4.03
Rot. Bonds2

About ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate

ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate (PubChem CID 21050828) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
PubChem CID21050828
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Nameethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc2ccc(C)cc2c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-3-18-13(17)10-11(14)8-6-7(2)4-5-9(8)16-12(10)15/h4-6H,3H2,1-2H3
InChIKeyBSQMPZFIOXDTBX-UHFFFAOYSA-N
XLogP4.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate
CID 141399841
acetic acid;amino acetate;ethyl 4-chloro-6-methyl-2-oxo-1H-quinoline-3-carboxylate;ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate;ethyl 4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carboxylate;phosphoryl trichloride
CID 158324414
ethyl 2-anilino-6-bromo-4-chloroquinoline-3-carboxylate;ethyl 6-bromo-2,4-dichloroquinoline-3-carboxylate
CID 161068399
ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
CID 2736409
ethyl 2-(benzylamino)-6-bromo-4-chloroquinoline-3-carboxylate;ethyl 6-bromo-2,4-dichloroquinoline-3-carboxylate
CID 158248552
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 3,6-dimethylisoquinoline-4-carboxylate
CID 132578243
ethyl 2-anilino-6-bromo-4-chloroquinoline-3-carboxylate
CID 58180803
ethyl 2-chloro-7-methylquinoline-4-carboxylate
CID 143772126
ethyl 7-bromo-2,4,6-trichloro-8-fluoroquinoline-3-carboxylate
CID 155387599

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate (CID 21050828) is ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate is CCOC(=O)c1c(Cl)nc2ccc(C)cc2c1Cl.
What is the InChIKey of ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate?
The InChIKey is BSQMPZFIOXDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-3-18-13(17)10-11(14)8-6-7(2)4-5-9(8)16-12(10)15/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate?
ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate has a molecular weight of 284.14 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 21050828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).