2-(4-iodophenyl)-1-quinolin-8-ylethanone

C17H12INO — CID 105103153

IUPAC2-(4-iodophenyl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1ccc(I)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H12INO/c18-14-8-6-12(7-9-14)11-16(20)15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2
InChIKeyYXQCPHQTBQJCJN-UHFFFAOYSA-N
MW373.19 g/mol
LogP4.26
Rot. Bonds3

About 2-(4-iodophenyl)-1-quinolin-8-ylethanone

2-(4-iodophenyl)-1-quinolin-8-ylethanone (PubChem CID 105103153) has the molecular formula C17H12INO and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-quinolin-8-ylethanone.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-quinolin-8-ylethanone
PubChem CID105103153
Molecular FormulaC17H12INO
Molecular Weight373.19 g/mol
Exact Mass373.00
IUPAC Name2-(4-iodophenyl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1ccc(I)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H12INO/c18-14-8-6-12(7-9-14)11-16(20)15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2
InChIKeyYXQCPHQTBQJCJN-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 54.26
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

2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
CID 115790827
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
CID 105127133
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201
palladium;quinoline-8-carboxylic acid
CID 174945118
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
1-(2-tert-butylphenyl)-2-(4-iodophenyl)ethanone
CID 114974201
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-quinolin-8-ylethanone?
The IUPAC name of 2-(4-iodophenyl)-1-quinolin-8-ylethanone (CID 105103153) is 2-(4-iodophenyl)-1-quinolin-8-ylethanone.
What is the SMILES notation for 2-(4-iodophenyl)-1-quinolin-8-ylethanone?
The canonical SMILES for 2-(4-iodophenyl)-1-quinolin-8-ylethanone is O=C(Cc1ccc(I)cc1)c1cccc2cccnc12.
What is the InChIKey of 2-(4-iodophenyl)-1-quinolin-8-ylethanone?
The InChIKey is YXQCPHQTBQJCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12INO/c18-14-8-6-12(7-9-14)11-16(20)15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2.
What are the key properties of 2-(4-iodophenyl)-1-quinolin-8-ylethanone?
2-(4-iodophenyl)-1-quinolin-8-ylethanone has a molecular weight of 373.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-quinolin-8-ylethanone is sourced from PubChem (CID 105103153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).