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

C19H15Cl2NO3 — CID 51031352

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate
SMILESCC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H15Cl2NO3/c1-11(23)25-9-8-14-18(13-4-2-3-5-16(13)21)15-10-12(20)6-7-17(15)22-19(14)24/h2-7,10H,8-9H2,1H3,(H,22,24)
InChIKeyJSPKDMBRWMYKLY-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.61
Rot. Bonds4

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

2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate (PubChem CID 51031352) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate
PubChem CID51031352
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate
SMILESCC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H15Cl2NO3/c1-11(23)25-9-8-14-18(13-4-2-3-5-16(13)21)15-10-12(20)6-7-17(15)22-19(14)24/h2-7,10H,8-9H2,1H3,(H,22,24)
InChIKeyJSPKDMBRWMYKLY-UHFFFAOYSA-N
XLogP4.61
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]ethyl acetate?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate (CID 51031352) is 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate is CC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate?
The InChIKey is JSPKDMBRWMYKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-11(23)25-9-8-14-18(13-4-2-3-5-16(13)21)15-10-12(20)6-7-17(15)22-19(14)24/h2-7,10H,8-9H2,1H3,(H,22,24).
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate?
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate has a molecular weight of 376.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate is sourced from PubChem (CID 51031352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).