3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid

C13H12ClNO4 — CID 54772922

IUPAC3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid
SMILESCOc1ccc(Cl)c2c(=O)ccn(CCC(=O)O)c12
InChIInChI=1S/C13H12ClNO4/c1-19-10-3-2-8(14)12-9(16)4-6-15(13(10)12)7-5-11(17)18/h2-4,6H,5,7H2,1H3,(H,17,18)
InChIKeyUSMMVRKYJYIXFE-UHFFFAOYSA-N
MW281.69 g/mol
LogP2.14
Rot. Bonds4

About 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid

3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid (PubChem CID 54772922) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid
PubChem CID54772922
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid
SMILESCOc1ccc(Cl)c2c(=O)ccn(CCC(=O)O)c12
InChIInChI=1S/C13H12ClNO4/c1-19-10-3-2-8(14)12-9(16)4-6-15(13(10)12)7-5-11(17)18/h2-4,6H,5,7H2,1H3,(H,17,18)
InChIKeyUSMMVRKYJYIXFE-UHFFFAOYSA-N
XLogP2.14
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloro-5-methoxyindol-1-yl)propanoic acid
CID 82499558
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)propanoic acid
CID 82240505
4-chloro-7-methoxy-1-methyl-3-propan-2-ylindole-2-carboxylic acid
CID 84642947
3-(4-oxoquinolin-1-yl)propanoic acid
CID 53264528
2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid
CID 67539220
3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
CID 53264256
3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene
CID 174492039
4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
CID 98035172
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
3-(7-chloro-4-methoxy-1H-indol-3-yl)propanoic acid
CID 82499552
methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
CID 66487334

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid (CID 54772922) is 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid is COc1ccc(Cl)c2c(=O)ccn(CCC(=O)O)c12.
What is the InChIKey of 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid?
The InChIKey is USMMVRKYJYIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-19-10-3-2-8(14)12-9(16)4-6-15(13(10)12)7-5-11(17)18/h2-4,6H,5,7H2,1H3,(H,17,18).
What are the key properties of 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid?
3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid has a molecular weight of 281.69 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 54772922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).