4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine

C15H11ClFN3 — CID 66077251

IUPAC4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1Nc1ccc2ncccc2c1
InChIInChI=1S/C15H11ClFN3/c16-11-7-13(18)15(8-12(11)17)20-10-3-4-14-9(6-10)2-1-5-19-14/h1-8,20H,18H2
InChIKeyXYCKNMSZNRIVLL-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.35
Rot. Bonds2

About 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine

4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine (PubChem CID 66077251) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine
PubChem CID66077251
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1Nc1ccc2ncccc2c1
InChIInChI=1S/C15H11ClFN3/c16-11-7-13(18)15(8-12(11)17)20-10-3-4-14-9(6-10)2-1-5-19-14/h1-8,20H,18H2
InChIKeyXYCKNMSZNRIVLL-UHFFFAOYSA-N
XLogP4.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine 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

4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
4-bromo-2-N-quinolin-6-ylbenzene-1,2-diamine
CID 65342296
1-N-(4-bromo-3-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66078253
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
4-chloro-1-N-[3-(dimethylamino)phenyl]-5-fluorobenzene-1,2-diamine
CID 115376157
6-N-quinolin-6-ylpyridine-2,3,6-triamine
CID 79826455
1-N-(4-tert-butylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077387
4-chloro-5-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 66078362
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
4-(2-amino-4-chloro-5-fluoroanilino)benzene-1,2-dicarbonitrile
CID 107787128
N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine
CID 62636651
N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
CID 62636135

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine (CID 66077251) is 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine is Nc1cc(Cl)c(F)cc1Nc1ccc2ncccc2c1.
What is the InChIKey of 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine?
The InChIKey is XYCKNMSZNRIVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-7-13(18)15(8-12(11)17)20-10-3-4-14-9(6-10)2-1-5-19-14/h1-8,20H,18H2.
What are the key properties of 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine?
4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine has a molecular weight of 287.73 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine is sourced from PubChem (CID 66077251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).