N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine

C15H8ClF2N3O2 — CID 161322524

IUPACN-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine
SMILESO=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ccnc2cc1F
InChIInChI=1S/C15H8ClF2N3O2/c16-10-5-8(1-2-11(10)17)20-13-3-4-19-14-7-12(18)15(21(22)23)6-9(13)14/h1-7H,(H,19,20)
InChIKeyJPIIQNPDHBGNNG-UHFFFAOYSA-N
MW335.70 g/mol
LogP4.82
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine (PubChem CID 161322524) has the molecular formula C15H8ClF2N3O2 and a molecular weight of 335.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine
PubChem CID161322524
Molecular FormulaC15H8ClF2N3O2
Molecular Weight335.70 g/mol
Exact Mass335.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine
SMILESO=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ccnc2cc1F
InChIInChI=1S/C15H8ClF2N3O2/c16-10-5-8(1-2-11(10)17)20-13-3-4-19-14-7-12(18)15(21(22)23)6-9(13)14/h1-7H,(H,19,20)
InChIKeyJPIIQNPDHBGNNG-UHFFFAOYSA-N
XLogP4.82
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 54.82
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'}

Analyze N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol
CID 137285542
4-N-(3-chloro-4-fluorophenyl)-7-methoxyquinoline-4,6-diamine
CID 141004590
sodium;[4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-yl]methanol;N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine;methanol;hydroxide
CID 159595365
4-bromo-N-(3-chloro-4-fluorophenyl)-5-fluoro-2-nitroaniline
CID 66110072
4-(3-chloro-4-fluoroanilino)-3-nitrobenzaldehyde
CID 78907019
N-(3-chloro-4-fluorophenyl)-6-ethoxy-7-nitroisoquinolin-1-amine
CID 169148284
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitroaniline
CID 63536605
N-(3-chlorophenyl)-6-nitroquinolin-4-amine
CID 70281154
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride
CID 87727435

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine (CID 161322524) is N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine is O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ccnc2cc1F.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine?
The InChIKey is JPIIQNPDHBGNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3O2/c16-10-5-8(1-2-11(10)17)20-13-3-4-19-14-7-12(18)15(21(22)23)6-9(13)14/h1-7H,(H,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine has a molecular weight of 335.70 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine is sourced from PubChem (CID 161322524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).