6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline

C21H12F2IN — CID 70836223

IUPAC6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline
SMILESFc1cc2nc(-c3ccccc3I)cc(-c3ccccc3)c2cc1F
InChIInChI=1S/C21H12F2IN/c22-17-10-16-15(13-6-2-1-3-7-13)11-20(25-21(16)12-18(17)23)14-8-4-5-9-19(14)24/h1-12H
InChIKeyAXBSDDVAJSCVKX-UHFFFAOYSA-N
MW443.23 g/mol
LogP6.45
Rot. Bonds2

About 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline

6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline (PubChem CID 70836223) has the molecular formula C21H12F2IN and a molecular weight of 443.23 g/mol. Its IUPAC name is 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline
PubChem CID70836223
Molecular FormulaC21H12F2IN
Molecular Weight443.23 g/mol
Exact Mass443.00
IUPAC Name6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline
SMILESFc1cc2nc(-c3ccccc3I)cc(-c3ccccc3)c2cc1F
InChIInChI=1S/C21H12F2IN/c22-17-10-16-15(13-6-2-1-3-7-13)11-20(25-21(16)12-18(17)23)14-8-4-5-9-19(14)24/h1-12H
InChIKeyAXBSDDVAJSCVKX-UHFFFAOYSA-N
XLogP6.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.23
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6,7-difluoro-2-phenylquinolin-4-yl)hydrazine
CID 62251146
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
4-(18F)fluoro-2-phenylquinoline
CID 155642613
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2,5,7-triphenylquinoline
CID 91559577
6-ethyl-2,4-diphenylquinoline
CID 132522547
2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
CID 15099821
2,4-diphenylquinolin-7-ol
CID 137317331
7-methyl-2,4-diphenylquinoline
CID 13048584
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
1-iodo-2-(2-phenylphenyl)benzene
CID 12595499
pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane
CID 122383432

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline?
The IUPAC name of 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline (CID 70836223) is 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline.
What is the SMILES notation for 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline?
The canonical SMILES for 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline is Fc1cc2nc(-c3ccccc3I)cc(-c3ccccc3)c2cc1F.
What is the InChIKey of 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline?
The InChIKey is AXBSDDVAJSCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2IN/c22-17-10-16-15(13-6-2-1-3-7-13)11-20(25-21(16)12-18(17)23)14-8-4-5-9-19(14)24/h1-12H.
What are the key properties of 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline?
6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline has a molecular weight of 443.23 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline is sourced from PubChem (CID 70836223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).