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

C17H12ClNO3 — CID 10757592

IUPAC2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H12ClNO3/c18-11-6-7-12-13(9-15(20)21)16(10-4-2-1-3-5-10)17(22)19-14(12)8-11/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyZEZWKBYLRMYLBE-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.48
Rot. Bonds3

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

2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid (PubChem CID 10757592) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid
PubChem CID10757592
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H12ClNO3/c18-11-6-7-12-13(9-15(20)21)16(10-4-2-1-3-5-10)17(22)19-14(12)8-11/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyZEZWKBYLRMYLBE-UHFFFAOYSA-N
XLogP3.48
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid (CID 10757592) is 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid is O=C(O)Cc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid?
The InChIKey is ZEZWKBYLRMYLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c18-11-6-7-12-13(9-15(20)21)16(10-4-2-1-3-5-10)17(22)19-14(12)8-11/h1-8H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid?
2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid has a molecular weight of 313.74 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 10757592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).