7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid

C12H10ClNO3 — CID 15618562

IUPAC7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C12H10ClNO3/c1-2-14-6-9(12(16)17)11(15)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,16,17)
InChIKeyQZUCTUIUIAGUSQ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.37
Rot. Bonds2

About 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid

7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 15618562) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
PubChem CID15618562
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C12H10ClNO3/c1-2-14-6-9(12(16)17)11(15)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,16,17)
InChIKeyQZUCTUIUIAGUSQ-UHFFFAOYSA-N
XLogP2.37
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid (CID 15618562) is 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is QZUCTUIUIAGUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-2-14-6-9(12(16)17)11(15)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid?
7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 15618562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).