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

C22H23Cl2N3O3 — CID 11539632

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide
SMILESCc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyGKDBTHSYQZTDAJ-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.81
Rot. Bonds8

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

2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide (PubChem CID 11539632) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide
PubChem CID11539632
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide
SMILESCc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyGKDBTHSYQZTDAJ-UHFFFAOYSA-N
XLogP4.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440885
N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 2517636
2-(2,4-Dichlorophenoxy)-N-[4-methyl-2-(piperidin-1-YL)quinolin-6-YL]acetamide
CID 3611477
2-(4-Chlorophenoxy)-N-(2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl)acetamide
CID 6621104
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
2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-acetamide
CID 11304816
2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-acetamide
CID 11495754
2-(2,4-Dichloro-phenoxy)-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-acetamide
CID 11512135
(E)-N-[2-(2-Dimethylamino-ethoxy)-4-methyl-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11662564
2-(2,4-Dichloro-phenoxy)-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-propionamide
CID 22421749

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide (CID 11539632) is 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide is Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide?
The InChIKey is GKDBTHSYQZTDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethoxy]-4-methylquinolin-6-yl]acetamide has a molecular weight of 448.35 g/mol, XLogP of 4.81, 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)ethoxy]-4-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 11539632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).