4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine

C19H19FN4O3 — CID 133341371

IUPAC4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine
SMILESCOc1cc(F)c([N+](=O)[O-])c(NCc2cc(N(C)C)nc3ccccc23)c1
InChIInChI=1S/C19H19FN4O3/c1-23(2)18-8-12(14-6-4-5-7-16(14)22-18)11-21-17-10-13(27-3)9-15(20)19(17)24(25)26/h4-10,21H,11H2,1-3H3
InChIKeyVAZRAIAFPWASGA-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.97
Rot. Bonds6

About 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine

4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine (PubChem CID 133341371) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine.

Molecular Properties

Compound Name4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine
PubChem CID133341371
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine
SMILESCOc1cc(F)c([N+](=O)[O-])c(NCc2cc(N(C)C)nc3ccccc23)c1
InChIInChI=1S/C19H19FN4O3/c1-23(2)18-8-12(14-6-4-5-7-16(14)22-18)11-21-17-10-13(27-3)9-15(20)19(17)24(25)26/h4-10,21H,11H2,1-3H3
InChIKeyVAZRAIAFPWASGA-UHFFFAOYSA-N
XLogP3.97
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.97
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

2-fluoro-4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]phenol
CID 133340541
4-fluoro-3-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]benzonitrile
CID 133341137
1-N-(3-fluoro-5-methoxy-2-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 133425148
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
N-[3-(benzimidazol-1-yl)propyl]-3-fluoro-5-methoxy-2-nitroaniline
CID 133426218
3-fluoro-5-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-nitroaniline
CID 133341410
3,5-difluoro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 115507748
[3-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]oxetan-3-yl]methanol
CID 133399183
5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
CID 133327918
1-(2,6-dichlorophenyl)-2-(3-fluoro-5-methoxy-2-nitroanilino)ethanol
CID 133340770
methyl 4-chloro-2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1,3-thiazole-5-carboxylate
CID 133327857
3-fluoro-N-[2-(4-fluorophenyl)-2-methoxyethyl]-5-methoxy-2-nitroaniline
CID 133341378

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine?
The IUPAC name of 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine (CID 133341371) is 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine.
What is the SMILES notation for 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine?
The canonical SMILES for 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine is COc1cc(F)c([N+](=O)[O-])c(NCc2cc(N(C)C)nc3ccccc23)c1.
What is the InChIKey of 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine?
The InChIKey is VAZRAIAFPWASGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-23(2)18-8-12(14-6-4-5-7-16(14)22-18)11-21-17-10-13(27-3)9-15(20)19(17)24(25)26/h4-10,21H,11H2,1-3H3.
What are the key properties of 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine?
4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine has a molecular weight of 370.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine is sourced from PubChem (CID 133341371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).