2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

C24H26ClFN4O — CID 22421740

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)Cc4c(F)cccc4Cl)ccc3n2)CC1
InChIInChI=1S/C24H26ClFN4O/c1-3-29-9-11-30(12-10-29)23-13-16(2)18-14-17(7-8-22(18)28-23)27-24(31)15-19-20(25)5-4-6-21(19)26/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,27,31)
InChIKeyWSCSOQLLIRJTMI-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.66
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide (PubChem CID 22421740) has the molecular formula C24H26ClFN4O and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
PubChem CID22421740
Molecular FormulaC24H26ClFN4O
Molecular Weight440.95 g/mol
Exact Mass440.18
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)Cc4c(F)cccc4Cl)ccc3n2)CC1
InChIInChI=1S/C24H26ClFN4O/c1-3-29-9-11-30(12-10-29)23-13-16(2)18-14-17(7-8-22(18)28-23)27-24(31)15-19-20(25)5-4-6-21(19)26/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,27,31)
InChIKeyWSCSOQLLIRJTMI-UHFFFAOYSA-N
XLogP4.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide (CID 22421740) is 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide is CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4c(F)cccc4Cl)ccc3n2)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The InChIKey is WSCSOQLLIRJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O/c1-3-29-9-11-30(12-10-29)23-13-16(2)18-14-17(7-8-22(18)28-23)27-24(31)15-19-20(25)5-4-6-21(19)26/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,27,31).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide has a molecular weight of 440.95 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 22421740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).