methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate

C12H10ClNO4 — CID 167005980

IUPACmethyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(Cl)c(OC)cc2c1=O
InChIInChI=1S/C12H10ClNO4/c1-17-10-3-6-9(4-8(10)13)14-5-7(11(6)15)12(16)18-2/h3-5H,1-2H3,(H,14,15)
InChIKeyQHODFFNAZVVDQX-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.98
Rot. Bonds2

About methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate

methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 167005980) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID167005980
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Namemethyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(Cl)c(OC)cc2c1=O
InChIInChI=1S/C12H10ClNO4/c1-17-10-3-6-9(4-8(10)13)14-5-7(11(6)15)12(16)18-2/h3-5H,1-2H3,(H,14,15)
InChIKeyQHODFFNAZVVDQX-UHFFFAOYSA-N
XLogP1.98
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 167005980) is methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c[nH]c2cc(Cl)c(OC)cc2c1=O.
What is the InChIKey of methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is QHODFFNAZVVDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-17-10-3-6-9(4-8(10)13)14-5-7(11(6)15)12(16)18-2/h3-5H,1-2H3,(H,14,15).
What are the key properties of methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 267.67 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 167005980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).