2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide

C23H24Cl2N4O2 — CID 10344176

IUPAC2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C23H24Cl2N4O2/c1-15-11-22(29-9-7-28(2)8-10-29)27-20-5-4-17(13-18(15)20)26-23(30)14-31-21-6-3-16(24)12-19(21)25/h3-6,11-13H,7-10,14H2,1-2H3,(H,26,30)
InChIKeyMXDHYBKFGPNDFR-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.62
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide (PubChem CID 10344176) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
PubChem CID10344176
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C23H24Cl2N4O2/c1-15-11-22(29-9-7-28(2)8-10-29)27-20-5-4-17(13-18(15)20)26-23(30)14-31-21-6-3-16(24)12-19(21)25/h3-6,11-13H,7-10,14H2,1-2H3,(H,26,30)
InChIKeyMXDHYBKFGPNDFR-UHFFFAOYSA-N
XLogP4.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide (CID 10344176) is 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The InChIKey is MXDHYBKFGPNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c1-15-11-22(29-9-7-28(2)8-10-29)27-20-5-4-17(13-18(15)20)26-23(30)14-31-21-6-3-16(24)12-19(21)25/h3-6,11-13H,7-10,14H2,1-2H3,(H,26,30).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide has a molecular weight of 459.38 g/mol, XLogP of 4.62, 5 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-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide is sourced from PubChem (CID 10344176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).