4,6-dichloro-8-iodo-2-phenylquinoline

C15H8Cl2IN — CID 107628258

IUPAC4,6-dichloro-8-iodo-2-phenylquinoline
SMILESClc1cc(I)c2nc(-c3ccccc3)cc(Cl)c2c1
InChIInChI=1S/C15H8Cl2IN/c16-10-6-11-12(17)8-14(9-4-2-1-3-5-9)19-15(11)13(18)7-10/h1-8H
InChIKeyXDZNXASIJWVALO-UHFFFAOYSA-N
MW400.05 g/mol
LogP5.81
Rot. Bonds1

About 4,6-dichloro-8-iodo-2-phenylquinoline

4,6-dichloro-8-iodo-2-phenylquinoline (PubChem CID 107628258) has the molecular formula C15H8Cl2IN and a molecular weight of 400.05 g/mol. Its IUPAC name is 4,6-dichloro-8-iodo-2-phenylquinoline.

Molecular Properties

Compound Name4,6-dichloro-8-iodo-2-phenylquinoline
PubChem CID107628258
Molecular FormulaC15H8Cl2IN
Molecular Weight400.05 g/mol
Exact Mass398.91
IUPAC Name4,6-dichloro-8-iodo-2-phenylquinoline
SMILESClc1cc(I)c2nc(-c3ccccc3)cc(Cl)c2c1
InChIInChI=1S/C15H8Cl2IN/c16-10-6-11-12(17)8-14(9-4-2-1-3-5-9)19-15(11)13(18)7-10/h1-8H
InChIKeyXDZNXASIJWVALO-UHFFFAOYSA-N
XLogP5.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.05
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-8-iodo-2-phenylquinoline 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

6-bromo-4,8-dichloro-2-phenylquinoline
CID 43668562
4-chloro-5,8-difluoro-2-phenylquinoline
CID 43668636
4-chloro-7,8-dimethyl-2-phenylquinoline
CID 43668735
6,8-dichloro-N-methyl-2-phenylquinolin-4-amine
CID 63481402
4-chloro-2-iodo-6-phenylpyridine
CID 118799955
4,8-dichloro-5-fluoro-2-phenylquinoline
CID 107530938
4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 90196949
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
5-bromo-4,8-dichloro-2-phenylquinoline
CID 63408837
4-(2,6-dichlorophenyl)-2,6-diphenylpyridine
CID 139203314
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
8-bromo-6-chloro-2-phenylquinoline-4-carboxylate
CID 5215803

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-8-iodo-2-phenylquinoline?
The IUPAC name of 4,6-dichloro-8-iodo-2-phenylquinoline (CID 107628258) is 4,6-dichloro-8-iodo-2-phenylquinoline.
What is the SMILES notation for 4,6-dichloro-8-iodo-2-phenylquinoline?
The canonical SMILES for 4,6-dichloro-8-iodo-2-phenylquinoline is Clc1cc(I)c2nc(-c3ccccc3)cc(Cl)c2c1.
What is the InChIKey of 4,6-dichloro-8-iodo-2-phenylquinoline?
The InChIKey is XDZNXASIJWVALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2IN/c16-10-6-11-12(17)8-14(9-4-2-1-3-5-9)19-15(11)13(18)7-10/h1-8H.
What are the key properties of 4,6-dichloro-8-iodo-2-phenylquinoline?
4,6-dichloro-8-iodo-2-phenylquinoline has a molecular weight of 400.05 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-8-iodo-2-phenylquinoline is sourced from PubChem (CID 107628258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).