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

C13H12ClNO4 — CID 82249284

IUPAC7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(Cl)ccc2c(=O)cc(C(=O)O)n(CCO)c12
InChIInChI=1S/C13H12ClNO4/c1-7-9(14)3-2-8-11(17)6-10(13(18)19)15(4-5-16)12(7)8/h2-3,6,16H,4-5H2,1H3,(H,18,19)
InChIKeyHJLPETJRRWKHLJ-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.65
Rot. Bonds3

About 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid

7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82249284) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82249284
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(Cl)ccc2c(=O)cc(C(=O)O)n(CCO)c12
InChIInChI=1S/C13H12ClNO4/c1-7-9(14)3-2-8-11(17)6-10(13(18)19)15(4-5-16)12(7)8/h2-3,6,16H,4-5H2,1H3,(H,18,19)
InChIKeyHJLPETJRRWKHLJ-UHFFFAOYSA-N
XLogP1.65
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250962
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82247120
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122
1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82251202
7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
CID 82251960
1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249184
1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 63376863
5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid
CID 82248933
1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
CID 82244120

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid (CID 82249284) is 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid is Cc1c(Cl)ccc2c(=O)cc(C(=O)O)n(CCO)c12.
What is the InChIKey of 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is HJLPETJRRWKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-7-9(14)3-2-8-11(17)6-10(13(18)19)15(4-5-16)12(7)8/h2-3,6,16H,4-5H2,1H3,(H,18,19).
What are the key properties of 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid?
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 281.69 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82249284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).