7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid

C12H10ClNO3 — CID 14842740

IUPAC7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCCc1cc(Cl)cc2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C12H10ClNO3/c1-2-6-3-7(13)4-8-11(6)10(15)5-9(14-8)12(16)17/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyGXRZLIXLYGNUAM-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.44
Rot. Bonds2

About 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid

7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 14842740) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID14842740
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCCc1cc(Cl)cc2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C12H10ClNO3/c1-2-6-3-7(13)4-8-11(6)10(15)5-9(14-8)12(16)17/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyGXRZLIXLYGNUAM-UHFFFAOYSA-N
XLogP2.44
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid (CID 14842740) is 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid is CCc1cc(Cl)cc2[nH]c(C(=O)O)cc(=O)c12.
What is the InChIKey of 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is GXRZLIXLYGNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-2-6-3-7(13)4-8-11(6)10(15)5-9(14-8)12(16)17/h3-5H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid?
7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 14842740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).