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

C23H25ClN4O2 — CID 11304816

IUPAC2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
InChIKeyOKIVGPUCUWMOIH-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.97
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide (PubChem CID 11304816) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
PubChem CID11304816
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
InChIKeyOKIVGPUCUWMOIH-UHFFFAOYSA-N
XLogP3.97
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide (CID 11304816) is 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The InChIKey is OKIVGPUCUWMOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide has a molecular weight of 424.93 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide is sourced from PubChem (CID 11304816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).