1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid

C13H13NO4 — CID 82244448

IUPAC1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1cccc2c(=O)c(C(=O)O)cn(CCO)c12
InChIInChI=1S/C13H13NO4/c1-8-3-2-4-9-11(8)14(5-6-15)7-10(12(9)16)13(17)18/h2-4,7,15H,5-6H2,1H3,(H,17,18)
InChIKeyRKAVJCHBJFQXNE-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.00
Rot. Bonds3

About 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid

1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 82244448) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID82244448
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1cccc2c(=O)c(C(=O)O)cn(CCO)c12
InChIInChI=1S/C13H13NO4/c1-8-3-2-4-9-11(8)14(5-6-15)7-10(12(9)16)13(17)18/h2-4,7,15H,5-6H2,1H3,(H,17,18)
InChIKeyRKAVJCHBJFQXNE-UHFFFAOYSA-N
XLogP1.00
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 53269520
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
4-(3-acetyl-7-methylindol-1-yl)butanoic acid
CID 117098575
6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 5276969
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 46741603
6-[(2-bromophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 5277019
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
8-fluoro-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
CID 82250393
1-(1-but-3-enyl-7-methylindol-3-yl)ethanone
CID 117098586
1-(carboxymethyl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 43831649
7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 143833116
2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 67257110

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 82244448) is 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid is Cc1cccc2c(=O)c(C(=O)O)cn(CCO)c12.
What is the InChIKey of 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RKAVJCHBJFQXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-3-2-4-9-11(8)14(5-6-15)7-10(12(9)16)13(17)18/h2-4,7,15H,5-6H2,1H3,(H,17,18).
What are the key properties of 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid?
1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82244448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).