[8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone

C22H14INO — CID 10646520

IUPAC[8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2cccc(I)c2)c2ncccc2c1
InChIInChI=1S/C22H14INO/c23-19-10-4-8-16(13-19)20-14-18(12-17-9-5-11-24-21(17)20)22(25)15-6-2-1-3-7-15/h1-14H
InChIKeyGLMLPGHDUUQGGA-UHFFFAOYSA-N
MW435.26 g/mol
LogP5.74
Rot. Bonds3

About [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone

[8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone (PubChem CID 10646520) has the molecular formula C22H14INO and a molecular weight of 435.26 g/mol. Its IUPAC name is [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone
PubChem CID10646520
Molecular FormulaC22H14INO
Molecular Weight435.26 g/mol
Exact Mass435.01
IUPAC Name[8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2cccc(I)c2)c2ncccc2c1
InChIInChI=1S/C22H14INO/c23-19-10-4-8-16(13-19)20-14-18(12-17-9-5-11-24-21(17)20)22(25)15-6-2-1-3-7-15/h1-14H
InChIKeyGLMLPGHDUUQGGA-UHFFFAOYSA-N
XLogP5.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.26
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(3-iodophenyl)phenyl]quinoline
CID 134445646
8-pyridin-3-ylquinoline-6-carboxylic acid
CID 156718043
2-benzoylphenaleno[2,3-b]pyridin-7-one
CID 154370739
bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106847
methyl 3-quinolin-8-ylbenzoate
CID 4189037
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate
CID 23202313
(3-benzoyl-5-iodophenyl)-phenylmethanone
CID 126685146
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone
CID 118378707
mercury;8-phenylquinoline;hydrate
CID 174770535
anthracene;diphenylmethanone
CID 87408663

Frequently Asked Questions

What is the IUPAC name of [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone?
The IUPAC name of [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone (CID 10646520) is [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone.
What is the SMILES notation for [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone?
The canonical SMILES for [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone is O=C(c1ccccc1)c1cc(-c2cccc(I)c2)c2ncccc2c1.
What is the InChIKey of [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone?
The InChIKey is GLMLPGHDUUQGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14INO/c23-19-10-4-8-16(13-19)20-14-18(12-17-9-5-11-24-21(17)20)22(25)15-6-2-1-3-7-15/h1-14H.
What are the key properties of [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone?
[8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone has a molecular weight of 435.26 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone is sourced from PubChem (CID 10646520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).