N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine

C17H11F3N4O4 — CID 23477052

IUPACN-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H11F3N4O4/c1-9-6-14(12-4-2-10(17(18,19)20)7-15(12)21-9)22-13-5-3-11(23(25)26)8-16(13)24(27)28/h2-8H,1H3,(H,21,22)
InChIKeyBSDKKACXGGFCEH-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.12
Rot. Bonds4

About N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine

N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 23477052) has the molecular formula C17H11F3N4O4 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
PubChem CID23477052
Molecular FormulaC17H11F3N4O4
Molecular Weight392.29 g/mol
Exact Mass392.07
IUPAC NameN-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H11F3N4O4/c1-9-6-14(12-4-2-10(17(18,19)20)7-15(12)21-9)22-13-5-3-11(23(25)26)8-16(13)24(27)28/h2-8H,1H3,(H,21,22)
InChIKeyBSDKKACXGGFCEH-UHFFFAOYSA-N
XLogP5.12
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477012
N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477036
N-(4-methylphenyl)-2-nitro-4-(trifluoromethyl)aniline
CID 3090532
4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]-N-(5-nitro-1,3-thiazol-2-yl)benzenesulfonamide
CID 23477069
N-[4-[2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
CID 4657864
[5-chloro-2-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-phenylmethanone
CID 23477016
1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 133423152
N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
CID 19258582
4-N-(2,4-dinitrophenyl)-1-N-methylbenzene-1,4-diamine
CID 102249231
2-nitro-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 71380493
N-(2-bromo-4-nitrophenyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 142346232
4-methyl-6-(4-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141290043

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine (CID 23477052) is N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine is Cc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is BSDKKACXGGFCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O4/c1-9-6-14(12-4-2-10(17(18,19)20)7-15(12)21-9)22-13-5-3-11(23(25)26)8-16(13)24(27)28/h2-8H,1H3,(H,21,22).
What are the key properties of N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 392.29 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 23477052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).