N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide

C24H17F4N3 — CID 151835378

IUPACN-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide
SMILES[H]/N=C(/c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1)N(C)c1cccc(F)c1
InChIInChI=1S/C24H17F4N3/c1-31(17-10-5-9-16(25)13-17)23(29)19-14-30-22-18(11-6-12-20(22)24(26,27)28)21(19)15-7-3-2-4-8-15/h2-14,29H,1H3/b29-23-
InChIKeySFNQDXMOWOJFOA-FAJYDZGRSA-N
MW423.41 g/mol
LogP6.52
Rot. Bonds3

About N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide

N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide (PubChem CID 151835378) has the molecular formula C24H17F4N3 and a molecular weight of 423.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide
PubChem CID151835378
Molecular FormulaC24H17F4N3
Molecular Weight423.41 g/mol
Exact Mass423.14
IUPAC NameN-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide
SMILES[H]/N=C(/c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1)N(C)c1cccc(F)c1
InChIInChI=1S/C24H17F4N3/c1-31(17-10-5-9-16(25)13-17)23(29)19-14-30-22-18(11-6-12-20(22)24(26,27)28)21(19)15-7-3-2-4-8-15/h2-14,29H,1H3/b29-23-
InChIKeySFNQDXMOWOJFOA-FAJYDZGRSA-N
XLogP6.52
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.41
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide (CID 151835378) is N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide is [H]/N=C(/c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1)N(C)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide?
The InChIKey is SFNQDXMOWOJFOA-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H17F4N3/c1-31(17-10-5-9-16(25)13-17)23(29)19-14-30-22-18(11-6-12-20(22)24(26,27)28)21(19)15-7-3-2-4-8-15/h2-14,29H,1H3/b29-23-.
What are the key properties of N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide?
N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide has a molecular weight of 423.41 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide is sourced from PubChem (CID 151835378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).