8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid

C16H9Cl2NO3 — CID 134498075

IUPAC8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(-c3cc(Cl)cc(Cl)c3)cccc2c1=O
InChIInChI=1S/C16H9Cl2NO3/c17-9-4-8(5-10(18)6-9)11-2-1-3-12-14(11)19-7-13(15(12)20)16(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKeyOLQREURRWJORRJ-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.20
Rot. Bonds2

About 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid

8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 134498075) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID134498075
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(-c3cc(Cl)cc(Cl)c3)cccc2c1=O
InChIInChI=1S/C16H9Cl2NO3/c17-9-4-8(5-10(18)6-9)11-2-1-3-12-14(11)19-7-13(15(12)20)16(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKeyOLQREURRWJORRJ-UHFFFAOYSA-N
XLogP4.20
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-carbamoyl-2-sulfooxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 171990233
8-bromo-7-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 103481174
4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 60789782
5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid
CID 172654759
8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 142605167
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid
CID 12736925
7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 69129184
CID 87579220
CID 87579220
7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 69006677
7-fluoro-1H-indole-3-carboxylic acid
CID 28806320
7-chloro-6-fluoro-4-oxo-8-sulfo-1H-quinoline-3-carboxylic acid
CID 11141790

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid (CID 134498075) is 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2c(-c3cc(Cl)cc(Cl)c3)cccc2c1=O.
What is the InChIKey of 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is OLQREURRWJORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-9-4-8(5-10(18)6-9)11-2-1-3-12-14(11)19-7-13(15(12)20)16(21)22/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid?
8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 334.16 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 134498075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).