8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one

C11H7F3N2O3 — CID 165347680

IUPAC8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1ccc([N+](=O)[O-])c2c(=O)cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C11H7F3N2O3/c1-5-2-3-6(16(18)19)9-7(17)4-8(11(12,13)14)15-10(5)9/h2-4H,1H3,(H,15,17)
InChIKeyPJRAMYDPPIARFG-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.76
Rot. Bonds1

About 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one

8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 165347680) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID165347680
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1ccc([N+](=O)[O-])c2c(=O)cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C11H7F3N2O3/c1-5-2-3-6(16(18)19)9-7(17)4-8(11(12,13)14)15-10(5)9/h2-4H,1H3,(H,15,17)
InChIKeyPJRAMYDPPIARFG-UHFFFAOYSA-N
XLogP2.76
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.76
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

6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 625643
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
7-methyl-4-nitro-1H-indole-2-carboxylic acid
CID 44720666
5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 43668071
8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
CID 114260850
4-methyl-1-nitro-2-(trifluoromethyl)benzene
CID 13455432
7-methyl-4-nitro-1H-indole
CID 21218311
2-[(3-methyl-4-nitrophenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-thione
CID 67178203
2,3-dimethyl-1-nitro-4-(trifluoromethyl)benzene
CID 119006674
1,3-dimethyl-4-nitro-2-(trifluoromethylsulfanyl)benzene
CID 135743542
1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole
CID 134924795
1,4-dimethyl-2-nitrobenzene
CID 20849377

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one (CID 165347680) is 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one is Cc1ccc([N+](=O)[O-])c2c(=O)cc(C(F)(F)F)[nH]c12.
What is the InChIKey of 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is PJRAMYDPPIARFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c1-5-2-3-6(16(18)19)9-7(17)4-8(11(12,13)14)15-10(5)9/h2-4H,1H3,(H,15,17).
What are the key properties of 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one?
8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 272.18 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-nitro-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 165347680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).