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

C17H12INO — CID 114979720

IUPAC1-(2-iodophenyl)-2-quinolin-4-ylethanone
SMILESO=C(Cc1ccnc2ccccc12)c1ccccc1I
InChIInChI=1S/C17H12INO/c18-15-7-3-1-6-14(15)17(20)11-12-9-10-19-16-8-4-2-5-13(12)16/h1-10H,11H2
InChIKeyATLXMGWOKVKBPW-UHFFFAOYSA-N
MW373.19 g/mol
LogP4.26
Rot. Bonds3

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

1-(2-iodophenyl)-2-quinolin-4-ylethanone (PubChem CID 114979720) has the molecular formula C17H12INO and a molecular weight of 373.19 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-quinolin-4-ylethanone
PubChem CID114979720
Molecular FormulaC17H12INO
Molecular Weight373.19 g/mol
Exact Mass373.00
IUPAC Name1-(2-iodophenyl)-2-quinolin-4-ylethanone
SMILESO=C(Cc1ccnc2ccccc12)c1ccccc1I
InChIInChI=1S/C17H12INO/c18-15-7-3-1-6-14(15)17(20)11-12-9-10-19-16-8-4-2-5-13(12)16/h1-10H,11H2
InChIKeyATLXMGWOKVKBPW-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

1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108
1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone
CID 82697873
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979736
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(2-iodophenyl)-2-quinolin-4-ylethanone (CID 114979720) is 1-(2-iodophenyl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(2-iodophenyl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(2-iodophenyl)-2-quinolin-4-ylethanone is O=C(Cc1ccnc2ccccc12)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-quinolin-4-ylethanone?
The InChIKey is ATLXMGWOKVKBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12INO/c18-15-7-3-1-6-14(15)17(20)11-12-9-10-19-16-8-4-2-5-13(12)16/h1-10H,11H2.
What are the key properties of 1-(2-iodophenyl)-2-quinolin-4-ylethanone?
1-(2-iodophenyl)-2-quinolin-4-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 1-(2-iodophenyl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 114979720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).