6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline

C16H10Cl2N2O2 — CID 15035210

IUPAC6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline
SMILESCc1cc(Cl)cc2c(-c3ccccc3Cl)c([N+](=O)[O-])cnc12
InChIInChI=1S/C16H10Cl2N2O2/c1-9-6-10(17)7-12-15(11-4-2-3-5-13(11)18)14(20(21)22)8-19-16(9)12/h2-8H,1H3
InChIKeyGHAPUIKXNLPZGZ-UHFFFAOYSA-N
MW333.17 g/mol
LogP5.43
Rot. Bonds2

About 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline

6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline (PubChem CID 15035210) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline.

Molecular Properties

Compound Name6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline
PubChem CID15035210
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline
SMILESCc1cc(Cl)cc2c(-c3ccccc3Cl)c([N+](=O)[O-])cnc12
InChIInChI=1S/C16H10Cl2N2O2/c1-9-6-10(17)7-12-15(11-4-2-3-5-13(11)18)14(20(21)22)8-19-16(9)12/h2-8H,1H3
InChIKeyGHAPUIKXNLPZGZ-UHFFFAOYSA-N
XLogP5.43
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.17
LogP ≤ 55.43
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'}

Analyze 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline 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-(2-chlorophenyl)-6-methyl-3-nitroquinoline
CID 15035197
2-(2-chlorophenyl)-4-methyl-5-nitropyridine
CID 166436309
1-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(4-nitrophenyl)urea
CID 15035161
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
4-chloro-3-nitroquinoline;ethane
CID 90799881
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
5-(2-chlorophenyl)-N-(2,4-difluoro-6-nitrophenyl)-6-methylpyrimidin-4-amine
CID 155243138
4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine
CID 22711992
1-[6-chloro-4-(2-methylphenyl)quinolin-3-yl]-3-(4-fluoro-3-nitrophenyl)urea
CID 15035149

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline?
The IUPAC name of 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline (CID 15035210) is 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline.
What is the SMILES notation for 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline?
The canonical SMILES for 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline is Cc1cc(Cl)cc2c(-c3ccccc3Cl)c([N+](=O)[O-])cnc12.
What is the InChIKey of 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline?
The InChIKey is GHAPUIKXNLPZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c1-9-6-10(17)7-12-15(11-4-2-3-5-13(11)18)14(20(21)22)8-19-16(9)12/h2-8H,1H3.
What are the key properties of 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline?
6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline has a molecular weight of 333.17 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline is sourced from PubChem (CID 15035210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).