2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid

C17H11Cl2NO3 — CID 51031203

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H11Cl2NO3/c18-9-5-6-14-11(7-9)16(10-3-1-2-4-13(10)19)12(8-15(21)22)17(23)20-14/h1-7H,8H2,(H,20,23)(H,21,22)
InChIKeyXIYKGWQFCNQFEA-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.13
Rot. Bonds3

About 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid

2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid (PubChem CID 51031203) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid
PubChem CID51031203
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H11Cl2NO3/c18-9-5-6-14-11(7-9)16(10-3-1-2-4-13(10)19)12(8-15(21)22)17(23)20-14/h1-7H,8H2,(H,20,23)(H,21,22)
InChIKeyXIYKGWQFCNQFEA-UHFFFAOYSA-N
XLogP4.13
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid (CID 51031203) is 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid is O=C(O)Cc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid?
The InChIKey is XIYKGWQFCNQFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c18-9-5-6-14-11(7-9)16(10-3-1-2-4-13(10)19)12(8-15(21)22)17(23)20-14/h1-7H,8H2,(H,20,23)(H,21,22).
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid?
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid has a molecular weight of 348.19 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid is sourced from PubChem (CID 51031203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).