N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

C23H21ClFN3O2 — CID 159654993

IUPACN-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(F)cc2c(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)ccnc12
InChIInChI=1S/C23H21ClFN3O2/c1-14-12-17(25)13-20-19(6-9-26-21(14)20)15-7-10-28(11-8-15)23(30)22(29)27-18-4-2-16(24)3-5-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,27,29)
InChIKeyCWYXNSMEYNAUTC-UHFFFAOYSA-N
MW425.89 g/mol
LogP4.68
Rot. Bonds2

About N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 159654993) has the molecular formula C23H21ClFN3O2 and a molecular weight of 425.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID159654993
Molecular FormulaC23H21ClFN3O2
Molecular Weight425.89 g/mol
Exact Mass425.13
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(F)cc2c(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)ccnc12
InChIInChI=1S/C23H21ClFN3O2/c1-14-12-17(25)13-20-19(6-9-26-21(14)20)15-7-10-28(11-8-15)23(30)22(29)27-18-4-2-16(24)3-5-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,27,29)
InChIKeyCWYXNSMEYNAUTC-UHFFFAOYSA-N
XLogP4.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione
CID 158335303
N-(5-chloro-3-fluoro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chloro-2-methylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(7-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-ethylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 159654991
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 139295372
4-[[2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]benzamide
CID 139295457
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 138687620
N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088634
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 138490241
2-[4-(2,5-dihydropyrrol-1-yl)piperidin-1-yl]-N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 91650914
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 159654993) is N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(F)cc2c(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)ccnc12.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is CWYXNSMEYNAUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2/c1-14-12-17(25)13-20-19(6-9-26-21(14)20)15-7-10-28(11-8-15)23(30)22(29)27-18-4-2-16(24)3-5-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 425.89 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 159654993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).