3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid

C14H14ClNO3 — CID 82248917

IUPAC3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c(=O)c2ccc(Cl)cc2n1C
InChIInChI=1S/C14H14ClNO3/c1-8-10(5-6-13(17)18)14(19)11-4-3-9(15)7-12(11)16(8)2/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyLFRPRLVOYYLZML-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.52
Rot. Bonds3

About 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid

3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid (PubChem CID 82248917) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
PubChem CID82248917
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c(=O)c2ccc(Cl)cc2n1C
InChIInChI=1S/C14H14ClNO3/c1-8-10(5-6-13(17)18)14(19)11-4-3-9(15)7-12(11)16(8)2/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyLFRPRLVOYYLZML-UHFFFAOYSA-N
XLogP2.52
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutanoic acid
CID 84642675
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
CID 53264256
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
3-[6-(carboxymethyl)-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl]propanoic acid
CID 82240388
2-amino-3-(5-chloro-1,2-dimethylindol-3-yl)propanoic acid
CID 122499642
2-(6-iodo-1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82252954
3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984471
3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82252911
5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115108943

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid?
The IUPAC name of 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid (CID 82248917) is 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid is Cc1c(CCC(=O)O)c(=O)c2ccc(Cl)cc2n1C.
What is the InChIKey of 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid?
The InChIKey is LFRPRLVOYYLZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-8-10(5-6-13(17)18)14(19)11-4-3-9(15)7-12(11)16(8)2/h3-4,7H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid?
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid has a molecular weight of 279.72 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid is sourced from PubChem (CID 82248917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).