2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide

C23H26Cl2N4O2 — CID 11512135

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide
SMILESCc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C23H26Cl2N4O2/c1-15-11-22(29(4)10-9-28(2)3)27-20-7-6-17(13-18(15)20)26-23(30)14-31-21-8-5-16(24)12-19(21)25/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,30)
InChIKeyFWSBSBDRADXORX-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.87
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide (PubChem CID 11512135) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide
PubChem CID11512135
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide
SMILESCc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C23H26Cl2N4O2/c1-15-11-22(29(4)10-9-28(2)3)27-20-7-6-17(13-18(15)20)26-23(30)14-31-21-8-5-16(24)12-19(21)25/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,30)
InChIKeyFWSBSBDRADXORX-UHFFFAOYSA-N
XLogP4.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 58646148
N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 5130019
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770123
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide (CID 11512135) is 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide is Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide?
The InChIKey is FWSBSBDRADXORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c1-15-11-22(29(4)10-9-28(2)3)27-20-7-6-17(13-18(15)20)26-23(30)14-31-21-8-5-16(24)12-19(21)25/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,30).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide has a molecular weight of 461.39 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 11512135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).