2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide

C20H17Cl3N2O4 — CID 67383874

IUPAC2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(Cl)c1.O=C(O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C11H8ClNO3.C9H9Cl2NO/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11;1-2-9(13)12-6-3-4-7(10)8(11)5-6/h1-5H,6H2,(H,14,15);3-5H,2H2,1H3,(H,12,13)
InChIKeyMURFZENCALJLON-UHFFFAOYSA-N
MW455.73 g/mol
LogP5.69
Rot. Bonds5

About 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide

2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide (PubChem CID 67383874) has the molecular formula C20H17Cl3N2O4 and a molecular weight of 455.73 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide
PubChem CID67383874
Molecular FormulaC20H17Cl3N2O4
Molecular Weight455.73 g/mol
Exact Mass454.03
IUPAC Name2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(Cl)c1.O=C(O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C11H8ClNO3.C9H9Cl2NO/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11;1-2-9(13)12-6-3-4-7(10)8(11)5-6/h1-5H,6H2,(H,14,15);3-5H,2H2,1H3,(H,12,13)
InChIKeyMURFZENCALJLON-UHFFFAOYSA-N
XLogP5.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.73
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716349
2-(5-chloroquinolin-8-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 8716362
2-(5-chloroquinolin-8-yl)oxy-N-(3,5-dimethoxyphenyl)acetamide
CID 8005978
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8716441
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-[4-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]phenoxy]acetamide
CID 55828463
(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
CID 119363599
2-(5-chloroquinolin-8-yl)oxyacetic acid;1-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 71236241
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
3-[[2-(5-chloroquinolin-8-yl)oxyacetyl]-ethylamino]propanoic acid
CID 120516814

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide (CID 67383874) is 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide is CCC(=O)Nc1ccc(Cl)c(Cl)c1.O=C(O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide?
The InChIKey is MURFZENCALJLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3.C9H9Cl2NO/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11;1-2-9(13)12-6-3-4-7(10)8(11)5-6/h1-5H,6H2,(H,14,15);3-5H,2H2,1H3,(H,12,13).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide?
2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide has a molecular weight of 455.73 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 67383874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).