N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

C23H19ClN4O2 — CID 139295429

IUPACN-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESN#Cc1ccc2nccc(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C23H19ClN4O2/c24-17-2-4-18(5-3-17)27-22(29)23(30)28-11-8-16(9-12-28)19-7-10-26-21-6-1-15(14-25)13-20(19)21/h1-7,10,13,16H,8-9,11-12H2,(H,27,29)
InChIKeyITAJPBIHARGEQO-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.10
Rot. Bonds2

About N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 139295429) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID139295429
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESN#Cc1ccc2nccc(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C23H19ClN4O2/c24-17-2-4-18(5-3-17)27-22(29)23(30)28-11-8-16(9-12-28)19-7-10-26-21-6-1-15(14-25)13-20(19)21/h1-7,10,13,16H,8-9,11-12H2,(H,27,29)
InChIKeyITAJPBIHARGEQO-UHFFFAOYSA-N
XLogP4.10
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 139295429) is N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is N#Cc1ccc2nccc(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is ITAJPBIHARGEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-17-2-4-18(5-3-17)27-22(29)23(30)28-11-8-16(9-12-28)19-7-10-26-21-6-1-15(14-25)13-20(19)21/h1-7,10,13,16H,8-9,11-12H2,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 418.88 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(6-cyanoquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 139295429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).