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

C17H12ClNO3S — CID 748047

IUPAC2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H12ClNO3S/c18-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)16(17(22)19-13)23-9-14(20)21/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyFQTRIPHZPZEULK-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.03
Rot. Bonds4

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

2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid (PubChem CID 748047) has the molecular formula C17H12ClNO3S and a molecular weight of 345.81 g/mol. Its IUPAC name is 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid
PubChem CID748047
Molecular FormulaC17H12ClNO3S
Molecular Weight345.81 g/mol
Exact Mass345.02
IUPAC Name2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H12ClNO3S/c18-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)16(17(22)19-13)23-9-14(20)21/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyFQTRIPHZPZEULK-UHFFFAOYSA-N
XLogP4.03
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid (CID 748047) is 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid is O=C(O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid?
The InChIKey is FQTRIPHZPZEULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3S/c18-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)16(17(22)19-13)23-9-14(20)21/h1-8H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid?
2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid has a molecular weight of 345.81 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid is sourced from PubChem (CID 748047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).