2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

C24H26Cl2N4O2 — CID 58646209

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3n2)CC1
InChIInChI=1S/C24H26Cl2N4O2/c1-3-29-8-10-30(11-9-29)23-12-16(2)19-14-18(5-6-21(19)28-23)27-24(31)15-32-22-7-4-17(25)13-20(22)26/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,27,31)
InChIKeyRPBFDTHKRCFAAJ-UHFFFAOYSA-N
MW473.40 g/mol
LogP5.01
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide (PubChem CID 58646209) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
PubChem CID58646209
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3n2)CC1
InChIInChI=1S/C24H26Cl2N4O2/c1-3-29-8-10-30(11-9-29)23-12-16(2)19-14-18(5-6-21(19)28-23)27-24(31)15-32-22-7-4-17(25)13-20(22)26/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,27,31)
InChIKeyRPBFDTHKRCFAAJ-UHFFFAOYSA-N
XLogP5.01
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 58646148
3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide
CID 142905279
3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 22421740
2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
CID 52584664
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427000
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
(2S)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654185
(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654184
2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide
CID 11512135
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 46504475
N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 5130019

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide (CID 58646209) is 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide is CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3n2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The InChIKey is RPBFDTHKRCFAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-3-29-8-10-30(11-9-29)23-12-16(2)19-14-18(5-6-21(19)28-23)27-24(31)15-32-22-7-4-17(25)13-20(22)26/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,27,31).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide has a molecular weight of 473.40 g/mol, XLogP of 5.01, 6 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-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 58646209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).