2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide

C23H23Cl2N3O2 — CID 3611477

IUPAC2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C23H23Cl2N3O2/c1-15-11-22(28-9-3-2-4-10-28)27-20-7-6-17(13-18(15)20)26-23(29)14-30-21-8-5-16(24)12-19(21)25/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,26,29)
InChIKeyNKJCLKBBZCIYSJ-UHFFFAOYSA-N
MW444.36 g/mol
LogP5.86
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide (PubChem CID 3611477) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide
PubChem CID3611477
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C23H23Cl2N3O2/c1-15-11-22(28-9-3-2-4-10-28)27-20-7-6-17(13-18(15)20)26-23(29)14-30-21-8-5-16(24)12-19(21)25/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,26,29)
InChIKeyNKJCLKBBZCIYSJ-UHFFFAOYSA-N
XLogP5.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11452268
2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-ethoxy)-4-methyl-quinolin-6-yl]-acetamide
CID 11539632
N-(4-methyl-2-(2-(piperidin-1-yl)ethylamino)quinolin-6-yl)-2-(4-(trifluoromethoxy)phenoxy)acetamide
CID 44407944
1-(2-Ethoxyphenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 16023475
2-(2-chlorophenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440885
N-(4-Methyl-2-piperidin-1-yl-quinolin-6-yl)-2-(4-trifluoromethoxy-phenoxy)-acetamide
CID 11705240
2-(4-Chlorophenoxy)-N-(2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl)acetamide
CID 6621104
N-[2-(4-Amino-piperidin-1-yl)-4-methyl-quinolin-6-yl]-2-(4-trifluoromethoxy-phenoxy)-acetamide
CID 10027853
(R)-N-(4-methyl-2-(3-methylpiperazin-1-yl)quinolin-6-yl)-2-(4-(trifluoromethoxy)phenoxy)acetamide
CID 10050565
2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 10073563
2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]acetamide
CID 10344176
2-(2,4-Dichloro-phenoxy)-N-(4-methyl-2-piperazin-1-yl-quinolin-6-yl)-acetamide
CID 10388797

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide (CID 3611477) is 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide is Cc1cc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide?
The InChIKey is NKJCLKBBZCIYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c1-15-11-22(28-9-3-2-4-10-28)27-20-7-6-17(13-18(15)20)26-23(29)14-30-21-8-5-16(24)12-19(21)25/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,26,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide has a molecular weight of 444.36 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide is sourced from PubChem (CID 3611477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).