(4-iodophenyl)-quinolin-5-ylmethanone

C16H10INO — CID 115604846

IUPAC(4-iodophenyl)-quinolin-5-ylmethanone
SMILESO=C(c1ccc(I)cc1)c1cccc2ncccc12
InChIInChI=1S/C16H10INO/c17-12-8-6-11(7-9-12)16(19)14-3-1-5-15-13(14)4-2-10-18-15/h1-10H
InChIKeyZXFQQLJFISDGSW-UHFFFAOYSA-N
MW359.17 g/mol
LogP4.07
Rot. Bonds2

About (4-iodophenyl)-quinolin-5-ylmethanone

(4-iodophenyl)-quinolin-5-ylmethanone (PubChem CID 115604846) has the molecular formula C16H10INO and a molecular weight of 359.17 g/mol. Its IUPAC name is (4-iodophenyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(4-iodophenyl)-quinolin-5-ylmethanone
PubChem CID115604846
Molecular FormulaC16H10INO
Molecular Weight359.17 g/mol
Exact Mass358.98
IUPAC Name(4-iodophenyl)-quinolin-5-ylmethanone
SMILESO=C(c1ccc(I)cc1)c1cccc2ncccc12
InChIInChI=1S/C16H10INO/c17-12-8-6-11(7-9-12)16(19)14-3-1-5-15-13(14)4-2-10-18-15/h1-10H
InChIKeyZXFQQLJFISDGSW-UHFFFAOYSA-N
XLogP4.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 54.07
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

(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
pyrimidin-4-yl(quinolin-5-yl)methanone
CID 81220260
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
1H-imidazol-5-yl(quinolin-5-yl)methanone
CID 59749571
(4-propylphenyl)-quinolin-4-ylmethanone
CID 86811157
(3-bromofuran-2-yl)-quinolin-5-ylmethanone
CID 105101672

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-quinolin-5-ylmethanone?
The IUPAC name of (4-iodophenyl)-quinolin-5-ylmethanone (CID 115604846) is (4-iodophenyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (4-iodophenyl)-quinolin-5-ylmethanone?
The canonical SMILES for (4-iodophenyl)-quinolin-5-ylmethanone is O=C(c1ccc(I)cc1)c1cccc2ncccc12.
What is the InChIKey of (4-iodophenyl)-quinolin-5-ylmethanone?
The InChIKey is ZXFQQLJFISDGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10INO/c17-12-8-6-11(7-9-12)16(19)14-3-1-5-15-13(14)4-2-10-18-15/h1-10H.
What are the key properties of (4-iodophenyl)-quinolin-5-ylmethanone?
(4-iodophenyl)-quinolin-5-ylmethanone has a molecular weight of 359.17 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 115604846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).