2-(4-iodophenyl)-4-methylquinoline

C16H12IN — CID 8966469

IUPAC2-(4-iodophenyl)-4-methylquinoline
SMILESCc1cc(-c2ccc(I)cc2)nc2ccccc12
InChIInChI=1S/C16H12IN/c1-11-10-16(12-6-8-13(17)9-7-12)18-15-5-3-2-4-14(11)15/h2-10H,1H3
InChIKeyBDAVIKXQDGLSCC-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.81
Rot. Bonds1

About 2-(4-iodophenyl)-4-methylquinoline

2-(4-iodophenyl)-4-methylquinoline (PubChem CID 8966469) has the molecular formula C16H12IN and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-(4-iodophenyl)-4-methylquinoline.

Molecular Properties

Compound Name2-(4-iodophenyl)-4-methylquinoline
PubChem CID8966469
Molecular FormulaC16H12IN
Molecular Weight345.18 g/mol
Exact Mass345.00
IUPAC Name2-(4-iodophenyl)-4-methylquinoline
SMILESCc1cc(-c2ccc(I)cc2)nc2ccccc12
InChIInChI=1S/C16H12IN/c1-11-10-16(12-6-8-13(17)9-7-12)18-15-5-3-2-4-14(11)15/h2-10H,1H3
InChIKeyBDAVIKXQDGLSCC-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-4-methylquinoline?
The IUPAC name of 2-(4-iodophenyl)-4-methylquinoline (CID 8966469) is 2-(4-iodophenyl)-4-methylquinoline.
What is the SMILES notation for 2-(4-iodophenyl)-4-methylquinoline?
The canonical SMILES for 2-(4-iodophenyl)-4-methylquinoline is Cc1cc(-c2ccc(I)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-iodophenyl)-4-methylquinoline?
The InChIKey is BDAVIKXQDGLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN/c1-11-10-16(12-6-8-13(17)9-7-12)18-15-5-3-2-4-14(11)15/h2-10H,1H3.
What are the key properties of 2-(4-iodophenyl)-4-methylquinoline?
2-(4-iodophenyl)-4-methylquinoline has a molecular weight of 345.18 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-4-methylquinoline is sourced from PubChem (CID 8966469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).