N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide

C22H21Cl2N3O3 — CID 55755026

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C22H21Cl2N3O3/c1-3-10-27(13-20(28)25-18-9-8-14(23)11-17(18)24)22(30)16-12-21(29)26(2)19-7-5-4-6-15(16)19/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,28)
InChIKeyQRGUBWPIYIDWGS-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.34
Rot. Bonds6

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide (PubChem CID 55755026) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
PubChem CID55755026
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C22H21Cl2N3O3/c1-3-10-27(13-20(28)25-18-9-8-14(23)11-17(18)24)22(30)16-12-21(29)26(2)19-7-5-4-6-15(16)19/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,28)
InChIKeyQRGUBWPIYIDWGS-UHFFFAOYSA-N
XLogP4.34
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
CID 31185170
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55755141
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 31185431
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 55755064
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
CID 55787027
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 55329898

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide (CID 55755026) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide?
The InChIKey is QRGUBWPIYIDWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-3-10-27(13-20(28)25-18-9-8-14(23)11-17(18)24)22(30)16-12-21(29)26(2)19-7-5-4-6-15(16)19/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide has a molecular weight of 446.33 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 55755026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).