6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine

C15H9F2N3O2 — CID 50878017

IUPAC6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1
InChIInChI=1S/C15H9F2N3O2/c16-9-6-12-14(4-5-18-15(12)13(17)7-9)19-10-2-1-3-11(8-10)20(21)22/h1-8H,(H,18,19)
InChIKeyVAZGZORHEMHILO-UHFFFAOYSA-N
MW301.25 g/mol
LogP4.16
Rot. Bonds3

About 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine

6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine (PubChem CID 50878017) has the molecular formula C15H9F2N3O2 and a molecular weight of 301.25 g/mol. Its IUPAC name is 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine.

Molecular Properties

Compound Name6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine
PubChem CID50878017
Molecular FormulaC15H9F2N3O2
Molecular Weight301.25 g/mol
Exact Mass301.07
IUPAC Name6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1
InChIInChI=1S/C15H9F2N3O2/c16-9-6-12-14(4-5-18-15(12)13(17)7-9)19-10-2-1-3-11(8-10)20(21)22/h1-8H,(H,18,19)
InChIKeyVAZGZORHEMHILO-UHFFFAOYSA-N
XLogP4.16
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
CID 46397774
4-(3-nitroanilino)quinolin-7-ol
CID 137246319
N-(3-chlorophenyl)-6-nitroquinolin-4-amine
CID 70281154
N-(3-bromophenyl)-6-nitroquinolin-4-amine
CID 46197130
2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 46844785
N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
CID 80753070
8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine
CID 43832587
CID 58015538
CID 58015538
2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine
CID 19258585
8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43832735
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine?
The IUPAC name of 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine (CID 50878017) is 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine.
What is the SMILES notation for 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine?
The canonical SMILES for 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine is O=[N+]([O-])c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1.
What is the InChIKey of 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine?
The InChIKey is VAZGZORHEMHILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O2/c16-9-6-12-14(4-5-18-15(12)13(17)7-9)19-10-2-1-3-11(8-10)20(21)22/h1-8H,(H,18,19).
What are the key properties of 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine?
6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine has a molecular weight of 301.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine is sourced from PubChem (CID 50878017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).