N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C25H20FN3O3 — CID 55552057

IUPACN-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3F)c3ccccc3n2)cc1
InChIInChI=1S/C25H20FN3O3/c1-15(30)27-17-9-12-21(26)24(13-17)29-25(31)20-14-23(16-7-10-18(32-2)11-8-16)28-22-6-4-3-5-19(20)22/h3-14H,1-2H3,(H,27,30)(H,29,31)
InChIKeyRFMPVDRQSIRAKW-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.26
Rot. Bonds5

About N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 55552057) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID55552057
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3F)c3ccccc3n2)cc1
InChIInChI=1S/C25H20FN3O3/c1-15(30)27-17-9-12-21(26)24(13-17)29-25(31)20-14-23(16-7-10-18(32-2)11-8-16)28-22-6-4-3-5-19(20)22/h3-14H,1-2H3,(H,27,30)(H,29,31)
InChIKeyRFMPVDRQSIRAKW-UHFFFAOYSA-N
XLogP5.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 43052490
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4103073

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 55552057) is N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3F)c3ccccc3n2)cc1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is RFMPVDRQSIRAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-15(30)27-17-9-12-21(26)24(13-17)29-25(31)20-14-23(16-7-10-18(32-2)11-8-16)28-22-6-4-3-5-19(20)22/h3-14H,1-2H3,(H,27,30)(H,29,31).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 55552057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).