7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid

C16H10ClNO4 — CID 69006677

IUPAC7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(-c3cc(Cl)ccc3O)ccc2c1=O
InChIInChI=1S/C16H10ClNO4/c17-9-2-4-14(19)11(6-9)8-1-3-10-13(5-8)18-7-12(15(10)20)16(21)22/h1-7,19H,(H,18,20)(H,21,22)
InChIKeyFJHNJIASWYLEIU-UHFFFAOYSA-N
MW315.71 g/mol
LogP3.25
Rot. Bonds2

About 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid

7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 69006677) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID69006677
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC Name7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(-c3cc(Cl)ccc3O)ccc2c1=O
InChIInChI=1S/C16H10ClNO4/c17-9-2-4-14(19)11(6-9)8-1-3-10-13(5-8)18-7-12(15(10)20)16(21)22/h1-7,19H,(H,18,20)(H,21,22)
InChIKeyFJHNJIASWYLEIU-UHFFFAOYSA-N
XLogP3.25
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306172
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
CID 170645729
CID 170645729
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
7-fluoro-6-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid;methanethiol
CID 142937709
7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170860986
propan-2-yl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 76851313
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
6-chloro-1H-indole-3-carboxamide
CID 130666489
6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid (CID 69006677) is 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2cc(-c3cc(Cl)ccc3O)ccc2c1=O.
What is the InChIKey of 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FJHNJIASWYLEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO4/c17-9-2-4-14(19)11(6-9)8-1-3-10-13(5-8)18-7-12(15(10)20)16(21)22/h1-7,19H,(H,18,20)(H,21,22).
What are the key properties of 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid?
7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 315.71 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 69006677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).