1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid

C14H15NO4 — CID 82246138

IUPAC1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCCn1c(C(=O)O)c(C)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C14H15NO4/c1-4-15-11-6-5-9(19-3)7-10(11)13(16)8(2)12(15)14(17)18/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyXPZZLGNETDTYJM-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.04
Rot. Bonds3

About 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid

1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82246138) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82246138
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCCn1c(C(=O)O)c(C)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C14H15NO4/c1-4-15-11-6-5-9(19-3)7-10(11)13(16)8(2)12(15)14(17)18/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyXPZZLGNETDTYJM-UHFFFAOYSA-N
XLogP2.04
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82247794
1-ethyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 105473665
2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 169148512
6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915969
2-ethyl-6-methoxyindazole-3-carboxylic acid
CID 84724604
5-ethoxy-3-methyl-1-prop-2-ynylindole-2-carboxylic acid
CID 83969413
5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide
CID 110499074
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251138

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid (CID 82246138) is 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid is CCn1c(C(=O)O)c(C)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is XPZZLGNETDTYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-15-11-6-5-9(19-3)7-10(11)13(16)8(2)12(15)14(17)18/h5-7H,4H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid?
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82246138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).