N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide

C22H21FN4O4 — CID 45481699

IUPACN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide
SMILESCN(C)C(=O)C(=O)N(C)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C22H21FN4O4/c1-26(2)21(30)22(31)27(3)17-11-16(19(28)18-15(17)5-4-10-24-18)20(29)25-12-13-6-8-14(23)9-7-13/h4-11,28H,12H2,1-3H3,(H,25,29)
InChIKeyWWUWVEGTBIZBFG-UHFFFAOYSA-N
MW424.43 g/mol
LogP2.06
Rot. Bonds4

About N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide

N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide (PubChem CID 45481699) has the molecular formula C22H21FN4O4 and a molecular weight of 424.43 g/mol. Its IUPAC name is N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide.

Molecular Properties

Compound NameN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide
PubChem CID45481699
Molecular FormulaC22H21FN4O4
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC NameN'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide
SMILESCN(C)C(=O)C(=O)N(C)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
InChIInChI=1S/C22H21FN4O4/c1-26(2)21(30)22(31)27(3)17-11-16(19(28)18-15(17)5-4-10-24-18)20(29)25-12-13-6-8-14(23)9-7-13/h4-11,28H,12H2,1-3H3,(H,25,29)
InChIKeyWWUWVEGTBIZBFG-UHFFFAOYSA-N
XLogP2.06
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxopyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide
CID 44579015
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide
CID 22346465
N-[(4-fluorophenyl)methyl]-1-methyl-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide
CID 53483026
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296

Frequently Asked Questions

What is the IUPAC name of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide?
The IUPAC name of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide (CID 45481699) is N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide.
What is the SMILES notation for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide?
The canonical SMILES for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide is CN(C)C(=O)C(=O)N(C)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12.
What is the InChIKey of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide?
The InChIKey is WWUWVEGTBIZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4/c1-26(2)21(30)22(31)27(3)17-11-16(19(28)18-15(17)5-4-10-24-18)20(29)25-12-13-6-8-14(23)9-7-13/h4-11,28H,12H2,1-3H3,(H,25,29).
What are the key properties of N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide?
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide has a molecular weight of 424.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide is sourced from PubChem (CID 45481699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).