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

C20H17Cl2NO3 — CID 51031353

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate
SMILESCCC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C20H17Cl2NO3/c1-2-18(24)26-10-9-14-19(13-5-3-4-6-16(13)22)15-11-12(21)7-8-17(15)23-20(14)25/h3-8,11H,2,9-10H2,1H3,(H,23,25)
InChIKeyRGBQSZSUKUYFFB-UHFFFAOYSA-N
MW390.27 g/mol
LogP5.00
Rot. Bonds5

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

2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate (PubChem CID 51031353) has the molecular formula C20H17Cl2NO3 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate
PubChem CID51031353
Molecular FormulaC20H17Cl2NO3
Molecular Weight390.27 g/mol
Exact Mass389.06
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate
SMILESCCC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C20H17Cl2NO3/c1-2-18(24)26-10-9-14-19(13-5-3-4-6-16(13)22)15-11-12(21)7-8-17(15)23-20(14)25/h3-8,11H,2,9-10H2,1H3,(H,23,25)
InChIKeyRGBQSZSUKUYFFB-UHFFFAOYSA-N
XLogP5.00
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 55.00
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 propanoate?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate (CID 51031353) is 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate is CCC(=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 propanoate?
The InChIKey is RGBQSZSUKUYFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3/c1-2-18(24)26-10-9-14-19(13-5-3-4-6-16(13)22)15-11-12(21)7-8-17(15)23-20(14)25/h3-8,11H,2,9-10H2,1H3,(H,23,25).
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate?
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate has a molecular weight of 390.27 g/mol, XLogP of 5.00, 5 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 propanoate is sourced from PubChem (CID 51031353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).