methyl 1-methyl-4-oxoquinoline-6-carboxylate

C12H11NO3 — CID 141127615

IUPACmethyl 1-methyl-4-oxoquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(=O)ccn2C
InChIInChI=1S/C12H11NO3/c1-13-6-5-11(14)9-7-8(12(15)16-2)3-4-10(9)13/h3-7H,1-2H3
InChIKeyCPFBFHDJWMSXDS-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.33
Rot. Bonds1

About methyl 1-methyl-4-oxoquinoline-6-carboxylate

methyl 1-methyl-4-oxoquinoline-6-carboxylate (PubChem CID 141127615) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 1-methyl-4-oxoquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-oxoquinoline-6-carboxylate
PubChem CID141127615
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 1-methyl-4-oxoquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(=O)ccn2C
InChIInChI=1S/C12H11NO3/c1-13-6-5-11(14)9-7-8(12(15)16-2)3-4-10(9)13/h3-7H,1-2H3
InChIKeyCPFBFHDJWMSXDS-UHFFFAOYSA-N
XLogP1.33
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-oxoquinoline-6-carboxylate?
The IUPAC name of methyl 1-methyl-4-oxoquinoline-6-carboxylate (CID 141127615) is methyl 1-methyl-4-oxoquinoline-6-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-oxoquinoline-6-carboxylate?
The canonical SMILES for methyl 1-methyl-4-oxoquinoline-6-carboxylate is COC(=O)c1ccc2c(c1)c(=O)ccn2C.
What is the InChIKey of methyl 1-methyl-4-oxoquinoline-6-carboxylate?
The InChIKey is CPFBFHDJWMSXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-13-6-5-11(14)9-7-8(12(15)16-2)3-4-10(9)13/h3-7H,1-2H3.
What are the key properties of methyl 1-methyl-4-oxoquinoline-6-carboxylate?
methyl 1-methyl-4-oxoquinoline-6-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-oxoquinoline-6-carboxylate is sourced from PubChem (CID 141127615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).