4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid

C14H15NO4 — CID 84638531

IUPAC4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)[nH]c2c(OC)ccc(C)c12
InChIInChI=1S/C14H15NO4/c1-4-8-10-7(2)5-6-9(19-3)12(10)15-13(16)11(8)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDLROTQCJMLWRIX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.11
Rot. Bonds3

About 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid

4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 84638531) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID84638531
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)[nH]c2c(OC)ccc(C)c12
InChIInChI=1S/C14H15NO4/c1-4-8-10-7(2)5-6-9(19-3)12(10)15-13(16)11(8)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDLROTQCJMLWRIX-UHFFFAOYSA-N
XLogP2.11
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84631832
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 84642932
3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
CID 10704674
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82500844
2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one
CID 137009972
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
CID 86188717
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid
CID 166682270

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid (CID 84638531) is 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid is CCc1c(C(=O)O)c(=O)[nH]c2c(OC)ccc(C)c12.
What is the InChIKey of 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is DLROTQCJMLWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-8-10-7(2)5-6-9(19-3)12(10)15-13(16)11(8)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid?
4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 84638531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).