2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid

C11H8ClNO3 — CID 84700341

IUPAC2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H8ClNO3/c12-7-1-2-8-9(4-7)13-5-6(11(8)16)3-10(14)15/h1-2,4-5H,3H2,(H,13,16)(H,14,15)
InChIKeyOSUZPOLBGLMSEZ-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.81
Rot. Bonds2

About 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid

2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid (PubChem CID 84700341) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
PubChem CID84700341
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H8ClNO3/c12-7-1-2-8-9(4-7)13-5-6(11(8)16)3-10(14)15/h1-2,4-5H,3H2,(H,13,16)(H,14,15)
InChIKeyOSUZPOLBGLMSEZ-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
3-(6-chloro-1H-indol-3-yl)-2-iodopropanoic acid
CID 121353891
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
2-amino-2-[(6-chloro-1H-indol-3-yl)methyl]-3-oxobutanoic acid
CID 154514584
CID 170645729
CID 170645729
6-chloro-1H-indole-3-carboxamide
CID 130666489
propan-2-yl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 76851313
1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-ynylurea
CID 6490413
6-chloro-3-(isocyanomethyl)-1H-indole
CID 83483881

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid (CID 84700341) is 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid is O=C(O)Cc1c[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid?
The InChIKey is OSUZPOLBGLMSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-7-1-2-8-9(4-7)13-5-6(11(8)16)3-10(14)15/h1-2,4-5H,3H2,(H,13,16)(H,14,15).
What are the key properties of 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid?
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid has a molecular weight of 237.64 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 84700341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).