6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride

C21H13Cl2FN2O2 — CID 75401799

IUPAC6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride
SMILESCl.O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2F)c2cc(Cl)ccc2n1
InChIInChI=1S/C21H12ClFN2O2.ClH/c22-13-9-10-19-17(11-13)16(14-5-1-3-7-18(14)23)12-20(24-19)15-6-2-4-8-21(15)25(26)27;/h1-12H;1H
InChIKeyYLSLVCQMBBJFHG-UHFFFAOYSA-N
MW415.25 g/mol
LogP6.69
Rot. Bonds3

About 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride

6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride (PubChem CID 75401799) has the molecular formula C21H13Cl2FN2O2 and a molecular weight of 415.25 g/mol. Its IUPAC name is 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride
PubChem CID75401799
Molecular FormulaC21H13Cl2FN2O2
Molecular Weight415.25 g/mol
Exact Mass414.03
IUPAC Name6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride
SMILESCl.O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2F)c2cc(Cl)ccc2n1
InChIInChI=1S/C21H12ClFN2O2.ClH/c22-13-9-10-19-17(11-13)16(14-5-1-3-7-18(14)23)12-20(24-19)15-6-2-4-8-21(15)25(26)27;/h1-12H;1H
InChIKeyYLSLVCQMBBJFHG-UHFFFAOYSA-N
XLogP6.69
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.25
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline
CID 8965952
N-[3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenyl]acetamide
CID 8966981
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
2-chloro-10-nitrophenanthridine-6-carbaldehyde
CID 174429205
2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline
CID 21488577
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
6-chloro-2-(2,5-dimethylthiophen-3-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 2965596
2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 3565307
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
6-chloro-2-[5-(2-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674033
2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride?
The IUPAC name of 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride (CID 75401799) is 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride.
What is the SMILES notation for 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride?
The canonical SMILES for 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride is Cl.O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2F)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride?
The InChIKey is YLSLVCQMBBJFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN2O2.ClH/c22-13-9-10-19-17(11-13)16(14-5-1-3-7-18(14)23)12-20(24-19)15-6-2-4-8-21(15)25(26)27;/h1-12H;1H.
What are the key properties of 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride?
6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride has a molecular weight of 415.25 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride is sourced from PubChem (CID 75401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).