4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline

C16H9F3N2O2 — CID 174518716

IUPAC4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)14-6-2-5-13-12(7-8-20-15(13)14)10-3-1-4-11(9-10)21(22)23/h1-9H
InChIKeyNSJWFLJSKXPTAP-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.83
Rot. Bonds2

About 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline

4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline (PubChem CID 174518716) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
PubChem CID174518716
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)14-6-2-5-13-12(7-8-20-15(13)14)10-3-1-4-11(9-10)21(22)23/h1-9H
InChIKeyNSJWFLJSKXPTAP-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

N-[(3-nitrophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518806
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 154136730
4-[4-(3-methylsulfonylphenyl)-2-pyridinyl]-8-(trifluoromethyl)quinoline
CID 68877332
N-propan-2-yl-3-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]benzenesulfonamide
CID 68875904
4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66914046
4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoyl chloride
CID 20520126
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]acetic acid
CID 66913937
4-[3-(3-chloro-4-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 68939544
4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25101685
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline (CID 174518716) is 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline is O=[N+]([O-])c1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline?
The InChIKey is NSJWFLJSKXPTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-16(18,19)14-6-2-5-13-12(7-8-20-15(13)14)10-3-1-4-11(9-10)21(22)23/h1-9H.
What are the key properties of 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline?
4-(3-nitrophenyl)-8-(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 4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 174518716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).