methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate

C11H7Cl2NO3 — CID 71650588

IUPACmethyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate
SMILESCOC(=O)C1=CC(=O)C2C=C(Cl)C=C(Cl)C2=N1
InChIInChI=1S/C11H7Cl2NO3/c1-17-11(16)8-4-9(15)6-2-5(12)3-7(13)10(6)14-8/h2-4,6H,1H3
InChIKeyOSXAVGMWTJMOKB-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.94
Rot. Bonds1

About methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate

methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate (PubChem CID 71650588) has the molecular formula C11H7Cl2NO3 and a molecular weight of 272.09 g/mol. Its IUPAC name is methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate
PubChem CID71650588
Molecular FormulaC11H7Cl2NO3
Molecular Weight272.09 g/mol
Exact Mass270.98
IUPAC Namemethyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate
SMILESCOC(=O)C1=CC(=O)C2C=C(Cl)C=C(Cl)C2=N1
InChIInChI=1S/C11H7Cl2NO3/c1-17-11(16)8-4-9(15)6-2-5(12)3-7(13)10(6)14-8/h2-4,6H,1H3
InChIKeyOSXAVGMWTJMOKB-UHFFFAOYSA-N
XLogP1.94
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate?
The IUPAC name of methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate (CID 71650588) is methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate.
What is the SMILES notation for methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate?
The canonical SMILES for methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate is COC(=O)C1=CC(=O)C2C=C(Cl)C=C(Cl)C2=N1.
What is the InChIKey of methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate?
The InChIKey is OSXAVGMWTJMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3/c1-17-11(16)8-4-9(15)6-2-5(12)3-7(13)10(6)14-8/h2-4,6H,1H3.
What are the key properties of methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate?
methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate has a molecular weight of 272.09 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate is sourced from PubChem (CID 71650588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).