2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide

C17H12F3N3O — CID 110451369

IUPAC2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESNc1ccc2nc(CC(=O)Nc3ccc(F)c(F)c3F)ccc2c1
InChIInChI=1S/C17H12F3N3O/c18-12-4-6-14(17(20)16(12)19)23-15(24)8-11-3-1-9-7-10(21)2-5-13(9)22-11/h1-7H,8,21H2,(H,23,24)
InChIKeyNAAUMRQIRHHWKG-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.42
Rot. Bonds3

About 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 110451369) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID110451369
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESNc1ccc2nc(CC(=O)Nc3ccc(F)c(F)c3F)ccc2c1
InChIInChI=1S/C17H12F3N3O/c18-12-4-6-14(17(20)16(12)19)23-15(24)8-11-3-1-9-7-10(21)2-5-13(9)22-11/h1-7H,8,21H2,(H,23,24)
InChIKeyNAAUMRQIRHHWKG-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(6-aminoquinolin-2-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 110451337
2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
CID 82547405
2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 82547221
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
2-(6-aminoquinolin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 82547092
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 3627095
2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 16878555
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110773923
(4,6-diamino-1,3,5-triazin-2-yl)methyl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9043075
2-(5-amino-2-pyridinyl)-N-(3-chloro-2-fluorophenyl)acetamide
CID 107337541

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 110451369) is 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide is Nc1ccc2nc(CC(=O)Nc3ccc(F)c(F)c3F)ccc2c1.
What is the InChIKey of 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is NAAUMRQIRHHWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-12-4-6-14(17(20)16(12)19)23-15(24)8-11-3-1-9-7-10(21)2-5-13(9)22-11/h1-7H,8,21H2,(H,23,24).
What are the key properties of 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 331.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 110451369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).