2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide

C14H14F3N3O — CID 115522077

IUPAC2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)NCCCC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)6-3-7-19-13(21)10-8-12(18)20-11-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2,(H2,18,20)(H,19,21)
InChIKeyLYIMJBIKXWRJJX-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide

2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide (PubChem CID 115522077) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
PubChem CID115522077
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)NCCCC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)6-3-7-19-13(21)10-8-12(18)20-11-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2,(H2,18,20)(H,19,21)
InChIKeyLYIMJBIKXWRJJX-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
1-amino-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106772541
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
1-chloro-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106766302
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide (CID 115522077) is 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide is Nc1cc(C(=O)NCCCC(F)(F)F)c2ccccc2n1.
What is the InChIKey of 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide?
The InChIKey is LYIMJBIKXWRJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)6-3-7-19-13(21)10-8-12(18)20-11-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide?
2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide is sourced from PubChem (CID 115522077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).