8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one

C16H9F3N2O3 — CID 102503290

IUPAC8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)c2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)10-6-4-9(5-7-10)12-8-14(22)20-15-11(12)2-1-3-13(15)21(23)24/h1-8H,(H,20,22)
InChIKeyRKTHUGFLEPFHBN-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.12
Rot. Bonds2

About 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one

8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one (PubChem CID 102503290) has the molecular formula C16H9F3N2O3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
PubChem CID102503290
Molecular FormulaC16H9F3N2O3
Molecular Weight334.25 g/mol
Exact Mass334.06
IUPAC Name8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)c2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)10-6-4-9(5-7-10)12-8-14(22)20-15-11(12)2-1-3-13(15)21(23)24/h1-8H,(H,20,22)
InChIKeyRKTHUGFLEPFHBN-UHFFFAOYSA-N
XLogP4.12
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
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

3-Amino-6-nitro-4-phenyl-1H-quinolin-2-one
CID 5378140
7-Methyl-4-(4-nitrophenyl)hydroquinolin-2-one
CID 721684
8-Nitro-1H-quinolin-2-one
CID 346520
N-(1-Nitro-naphthalen-2-YL)-acetamide
CID 222855
Sdccgsbi-0660763.P001
CID 723161
2-[(4-ethylphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 4883949
N-benzyl-3-methyl-1,4-dioxido-7-(trifluoromethyl)quinoxaline-1,4-diium-2-carboxamide
CID 46885054
3-chloro-8-nitro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035769
3-bromo-8-nitro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 155557015
(E)-N-(2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 790345
N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 2779354
Acetamide, N-(3-nitro(1,1'-biphenyl)-4-yl)-
CID 79364

Frequently Asked Questions

What is the IUPAC name of 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one?
The IUPAC name of 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one (CID 102503290) is 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)c2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one?
The InChIKey is RKTHUGFLEPFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O3/c17-16(18,19)10-6-4-9(5-7-10)12-8-14(22)20-15-11(12)2-1-3-13(15)21(23)24/h1-8H,(H,20,22).
What are the key properties of 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one?
8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one has a molecular weight of 334.25 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 102503290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).