[3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate

C24H18Cl2N2O3 — CID 142207965

IUPAC[3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(-c2cc(-c3ccc(Cl)cc3)ccc2Cl)c(=O)[nH]c2ccccc12
InChIInChI=1S/C24H18Cl2N2O3/c1-28(2)24(30)31-22-17-5-3-4-6-20(17)27-23(29)21(22)18-13-15(9-12-19(18)26)14-7-10-16(25)11-8-14/h3-13H,1-2H3,(H,27,29)
InChIKeyUBLLCYJWZIJPBS-UHFFFAOYSA-N
MW453.33 g/mol
LogP6.23
Rot. Bonds3

About [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate

[3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate (PubChem CID 142207965) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate
PubChem CID142207965
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC Name[3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(-c2cc(-c3ccc(Cl)cc3)ccc2Cl)c(=O)[nH]c2ccccc12
InChIInChI=1S/C24H18Cl2N2O3/c1-28(2)24(30)31-22-17-5-3-4-6-20(17)27-23(29)21(22)18-13-15(9-12-19(18)26)14-7-10-16(25)11-8-14/h3-13H,1-2H3,(H,27,29)
InChIKeyUBLLCYJWZIJPBS-UHFFFAOYSA-N
XLogP6.23
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate (CID 142207965) is [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1c(-c2cc(-c3ccc(Cl)cc3)ccc2Cl)c(=O)[nH]c2ccccc12.
What is the InChIKey of [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate?
The InChIKey is UBLLCYJWZIJPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-28(2)24(30)31-22-17-5-3-4-6-20(17)27-23(29)21(22)18-13-15(9-12-19(18)26)14-7-10-16(25)11-8-14/h3-13H,1-2H3,(H,27,29).
What are the key properties of [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate?
[3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate has a molecular weight of 453.33 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-chloro-5-(4-chlorophenyl)phenyl]-2-oxo-1H-quinolin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 142207965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).