2-nitro-4-phenyl-6-(trifluoromethyl)quinoline

C16H9F3N2O2 — CID 54105073

IUPAC2-nitro-4-phenyl-6-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1cc(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)11-6-7-14-13(8-11)12(9-15(20-14)21(22)23)10-4-2-1-3-5-10/h1-9H
InChIKeyNDECIKUIOYWIIX-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.83
Rot. Bonds2

About 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline

2-nitro-4-phenyl-6-(trifluoromethyl)quinoline (PubChem CID 54105073) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-nitro-4-phenyl-6-(trifluoromethyl)quinoline
PubChem CID54105073
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name2-nitro-4-phenyl-6-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1cc(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)11-6-7-14-13(8-11)12(9-15(20-14)21(22)23)10-4-2-1-3-5-10/h1-9H
InChIKeyNDECIKUIOYWIIX-UHFFFAOYSA-N
XLogP4.83
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
6-nitro-3-phenylpyridin-2-amine
CID 119007149
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
4-bromo-2-nitroquinoline
CID 150997000
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462
2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
CID 171364975
N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide
CID 135254500
3-nitro-6-(trifluoromethyl)quinolin-4-amine
CID 126712327
3,4-diamino-6-(trifluoromethyl)quinazolin-2-one
CID 59320586
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline (CID 54105073) is 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline is O=[N+]([O-])c1cc(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline?
The InChIKey is NDECIKUIOYWIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-16(18,19)11-6-7-14-13(8-11)12(9-15(20-14)21(22)23)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline?
2-nitro-4-phenyl-6-(trifluoromethyl)quinoline has a molecular weight of 318.25 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-phenyl-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 54105073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).