N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide

C27H24Cl2N2O2 — CID 23797082

IUPACN-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(CCc3ccccc3)Cc3ccccc3)c2n1
InChIInChI=1S/C27H24Cl2N2O2/c1-19-12-13-22-23(28)16-24(29)27(26(22)30-19)33-18-25(32)31(17-21-10-6-3-7-11-21)15-14-20-8-4-2-5-9-20/h2-13,16H,14-15,17-18H2,1H3
InChIKeyNMEIJRIKYJUNAB-UHFFFAOYSA-N
MW479.41 g/mol
LogP6.50
Rot. Bonds8

About N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide

N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide (PubChem CID 23797082) has the molecular formula C27H24Cl2N2O2 and a molecular weight of 479.41 g/mol. Its IUPAC name is N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide
PubChem CID23797082
Molecular FormulaC27H24Cl2N2O2
Molecular Weight479.41 g/mol
Exact Mass478.12
IUPAC NameN-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(CCc3ccccc3)Cc3ccccc3)c2n1
InChIInChI=1S/C27H24Cl2N2O2/c1-19-12-13-22-23(28)16-24(29)27(26(22)30-19)33-18-25(32)31(17-21-10-6-3-7-11-21)15-14-20-8-4-2-5-9-20/h2-13,16H,14-15,17-18H2,1H3
InChIKeyNMEIJRIKYJUNAB-UHFFFAOYSA-N
XLogP6.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide
CID 2442939
N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096627
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 47013845
2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid
CID 65442005
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
N-benzyl-N-[2-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]ethyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504840
4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]benzamide
CID 27311006
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7698005
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 56764008
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4667979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide (CID 23797082) is N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(CCc3ccccc3)Cc3ccccc3)c2n1.
What is the InChIKey of N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide?
The InChIKey is NMEIJRIKYJUNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N2O2/c1-19-12-13-22-23(28)16-24(29)27(26(22)30-19)33-18-25(32)31(17-21-10-6-3-7-11-21)15-14-20-8-4-2-5-9-20/h2-13,16H,14-15,17-18H2,1H3.
What are the key properties of N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide?
N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide has a molecular weight of 479.41 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 23797082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).