7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid

C10H8ClNO3 — CID 15168453

IUPAC7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
SMILESO=C1CC(C(=O)O)Nc2cc(Cl)ccc21
InChIInChI=1S/C10H8ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-3,8,12H,4H2,(H,14,15)
InChIKeyANKIOPRBGZLCHF-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.79
Rot. Bonds1

About 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid

7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid (PubChem CID 15168453) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
PubChem CID15168453
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
SMILESO=C1CC(C(=O)O)Nc2cc(Cl)ccc21
InChIInChI=1S/C10H8ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-3,8,12H,4H2,(H,14,15)
InChIKeyANKIOPRBGZLCHF-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid (CID 15168453) is 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid is O=C1CC(C(=O)O)Nc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid?
The InChIKey is ANKIOPRBGZLCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-3,8,12H,4H2,(H,14,15).
What are the key properties of 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid?
7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 15168453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).