1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid

C13H13NO4 — CID 82213077

IUPAC1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2ccc(=O)n(CCO)c12
InChIInChI=1S/C13H13NO4/c1-8-6-10(13(17)18)7-9-2-3-11(16)14(4-5-15)12(8)9/h2-3,6-7,15H,4-5H2,1H3,(H,17,18)
InChIKeyRJQFIDQVKBDYQM-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.00
Rot. Bonds3

About 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid

1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid (PubChem CID 82213077) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
PubChem CID82213077
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2ccc(=O)n(CCO)c12
InChIInChI=1S/C13H13NO4/c1-8-6-10(13(17)18)7-9-2-3-11(16)14(4-5-15)12(8)9/h2-3,6-7,15H,4-5H2,1H3,(H,17,18)
InChIKeyRJQFIDQVKBDYQM-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

1-(2-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83945940
1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213063
8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
CID 82213037
8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947439
8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
CID 94947485
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid
CID 82213114
8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
CID 82213036
1-(carboxymethyl)-2,7-dimethylindole-5-carboxylic acid
CID 83948184
2-oxo-8-propan-2-yl-1-prop-2-enylquinoline-6-carboxylic acid
CID 82213115
8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947467
8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
CID 82212983

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid (CID 82213077) is 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid is Cc1cc(C(=O)O)cc2ccc(=O)n(CCO)c12.
What is the InChIKey of 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid?
The InChIKey is RJQFIDQVKBDYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-6-10(13(17)18)7-9-2-3-11(16)14(4-5-15)12(8)9/h2-3,6-7,15H,4-5H2,1H3,(H,17,18).
What are the key properties of 1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid?
1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-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-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 82213077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).