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

C12H11NO4 — CID 16681664

IUPACmethyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C12H11NO4/c1-16-7-3-4-10-8(5-7)11(14)9(6-13-10)12(15)17-2/h3-6H,1-2H3,(H,13,14)
InChIKeyUYEWFLQORIVQPF-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.32
Rot. Bonds2

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

methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 16681664) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID16681664
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C12H11NO4/c1-16-7-3-4-10-8(5-7)11(14)9(6-13-10)12(15)17-2/h3-6H,1-2H3,(H,13,14)
InChIKeyUYEWFLQORIVQPF-UHFFFAOYSA-N
XLogP1.32
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Decoquinate
CID 29112
N1-acetyl-N2-formyl-5-methoxykynuramine
CID 171161
Buquinolate
CID 21651
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 1476756
6-(Trifluoromethoxy)-4-quinolinol
CID 2775104
6-Methoxy-2-phenyl-4-quinolone
CID 124348
Ethyl 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 228284
4-Hydroxy-8-methoxyquinoline-3-carboxylic acid
CID 255290
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
Cyproquinate
CID 29636
6-Ethoxy-2-methyl-4-quinolinol
CID 730934
6-Methoxy-2-methylquinolin-4-ol
CID 316987

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 16681664) is methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c[nH]c2ccc(OC)cc2c1=O.
What is the InChIKey of methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is UYEWFLQORIVQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-7-3-4-10-8(5-7)11(14)9(6-13-10)12(15)17-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 16681664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).