2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid

C17H13ClFNO3 — CID 46206267

IUPAC2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)CCc2cc(-c3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C17H13ClFNO3/c18-13-8-11(1-4-14(13)19)10-2-5-15-12(7-10)3-6-16(21)20(15)9-17(22)23/h1-2,4-5,7-8H,3,6,9H2,(H,22,23)
InChIKeyLSAPKVQUHUVVAO-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.51
Rot. Bonds3

About 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid

2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid (PubChem CID 46206267) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
PubChem CID46206267
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)CCc2cc(-c3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C17H13ClFNO3/c18-13-8-11(1-4-14(13)19)10-2-5-15-12(7-10)3-6-16(21)20(15)9-17(22)23/h1-2,4-5,7-8H,3,6,9H2,(H,22,23)
InChIKeyLSAPKVQUHUVVAO-UHFFFAOYSA-N
XLogP3.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid (CID 46206267) is 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The canonical SMILES for 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid is O=C(O)CN1C(=O)CCc2cc(-c3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The InChIKey is LSAPKVQUHUVVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c18-13-8-11(1-4-14(13)19)10-2-5-15-12(7-10)3-6-16(21)20(15)9-17(22)23/h1-2,4-5,7-8H,3,6,9H2,(H,22,23).
What are the key properties of 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid has a molecular weight of 333.75 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid is sourced from PubChem (CID 46206267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).