methyl 3,4-dichloroquinoline-6-carboxylate

C11H7Cl2NO2 — CID 67773511

IUPACmethyl 3,4-dichloroquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(Cl)c2c1
InChIInChI=1S/C11H7Cl2NO2/c1-16-11(15)6-2-3-9-7(4-6)10(13)8(12)5-14-9/h2-5H,1H3
InChIKeyWBYIHCZQQASHFR-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.33
Rot. Bonds1

About methyl 3,4-dichloroquinoline-6-carboxylate

methyl 3,4-dichloroquinoline-6-carboxylate (PubChem CID 67773511) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is methyl 3,4-dichloroquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dichloroquinoline-6-carboxylate
PubChem CID67773511
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Namemethyl 3,4-dichloroquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(Cl)c2c1
InChIInChI=1S/C11H7Cl2NO2/c1-16-11(15)6-2-3-9-7(4-6)10(13)8(12)5-14-9/h2-5H,1H3
InChIKeyWBYIHCZQQASHFR-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dichloroquinoline-6-carboxylate?
The IUPAC name of methyl 3,4-dichloroquinoline-6-carboxylate (CID 67773511) is methyl 3,4-dichloroquinoline-6-carboxylate.
What is the SMILES notation for methyl 3,4-dichloroquinoline-6-carboxylate?
The canonical SMILES for methyl 3,4-dichloroquinoline-6-carboxylate is COC(=O)c1ccc2ncc(Cl)c(Cl)c2c1.
What is the InChIKey of methyl 3,4-dichloroquinoline-6-carboxylate?
The InChIKey is WBYIHCZQQASHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c1-16-11(15)6-2-3-9-7(4-6)10(13)8(12)5-14-9/h2-5H,1H3.
What are the key properties of methyl 3,4-dichloroquinoline-6-carboxylate?
methyl 3,4-dichloroquinoline-6-carboxylate has a molecular weight of 256.09 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dichloroquinoline-6-carboxylate is sourced from PubChem (CID 67773511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).