1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid

C12H9Cl2NO4 — CID 15168441

IUPAC1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid
SMILESCC(=O)N1c2cc(Cl)cc(Cl)c2C(=O)CC1C(=O)O
InChIInChI=1S/C12H9Cl2NO4/c1-5(16)15-8-3-6(13)2-7(14)11(8)10(17)4-9(15)12(18)19/h2-3,9H,4H2,1H3,(H,18,19)
InChIKeyMJNPJPJXZZVLPB-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.39
Rot. Bonds1

About 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid

1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid (PubChem CID 15168441) has the molecular formula C12H9Cl2NO4 and a molecular weight of 302.11 g/mol. Its IUPAC name is 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid
PubChem CID15168441
Molecular FormulaC12H9Cl2NO4
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC Name1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid
SMILESCC(=O)N1c2cc(Cl)cc(Cl)c2C(=O)CC1C(=O)O
InChIInChI=1S/C12H9Cl2NO4/c1-5(16)15-8-3-6(13)2-7(14)11(8)10(17)4-9(15)12(18)19/h2-3,9H,4H2,1H3,(H,18,19)
InChIKeyMJNPJPJXZZVLPB-UHFFFAOYSA-N
XLogP2.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid?
The IUPAC name of 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid (CID 15168441) is 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid.
What is the SMILES notation for 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid?
The canonical SMILES for 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid is CC(=O)N1c2cc(Cl)cc(Cl)c2C(=O)CC1C(=O)O.
What is the InChIKey of 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid?
The InChIKey is MJNPJPJXZZVLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4/c1-5(16)15-8-3-6(13)2-7(14)11(8)10(17)4-9(15)12(18)19/h2-3,9H,4H2,1H3,(H,18,19).
What are the key properties of 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid?
1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid has a molecular weight of 302.11 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5,7-dichloro-4-oxo-2,3-dihydroquinoline-2-carboxylic acid is sourced from PubChem (CID 15168441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).