[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate

C19H15Cl2NO3 — CID 174331834

IUPAC[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate
SMILESCCC(=O)Oc1c(-c2ccccc2Cl)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C19H15Cl2NO3/c1-3-16(23)25-18-17(12-6-4-5-7-14(12)21)13-10-11(20)8-9-15(13)22(2)19(18)24/h4-10H,3H2,1-2H3
InChIKeyUMLFHRXTNPQHIQ-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.83
Rot. Bonds3

About [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate

[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate (PubChem CID 174331834) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate.

Molecular Properties

Compound Name[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate
PubChem CID174331834
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate
SMILESCCC(=O)Oc1c(-c2ccccc2Cl)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C19H15Cl2NO3/c1-3-16(23)25-18-17(12-6-4-5-7-14(12)21)13-10-11(20)8-9-15(13)22(2)19(18)24/h4-10H,3H2,1-2H3
InChIKeyUMLFHRXTNPQHIQ-UHFFFAOYSA-N
XLogP4.83
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate?
The IUPAC name of [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate (CID 174331834) is [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate.
What is the SMILES notation for [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate?
The canonical SMILES for [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate is CCC(=O)Oc1c(-c2ccccc2Cl)c2cc(Cl)ccc2n(C)c1=O.
What is the InChIKey of [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate?
The InChIKey is UMLFHRXTNPQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-3-16(23)25-18-17(12-6-4-5-7-14(12)21)13-10-11(20)8-9-15(13)22(2)19(18)24/h4-10H,3H2,1-2H3.
What are the key properties of [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate?
[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate has a molecular weight of 376.24 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate is sourced from PubChem (CID 174331834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).