2-(4-iodophenyl)-8-methylquinoline

C16H12IN — CID 125497022

IUPAC2-(4-iodophenyl)-8-methylquinoline
SMILESCc1cccc2ccc(-c3ccc(I)cc3)nc12
InChIInChI=1S/C16H12IN/c1-11-3-2-4-13-7-10-15(18-16(11)13)12-5-8-14(17)9-6-12/h2-10H,1H3
InChIKeySTXXFKTUUIDNLI-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.81
Rot. Bonds1

About 2-(4-iodophenyl)-8-methylquinoline

2-(4-iodophenyl)-8-methylquinoline (PubChem CID 125497022) has the molecular formula C16H12IN and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-(4-iodophenyl)-8-methylquinoline.

Molecular Properties

Compound Name2-(4-iodophenyl)-8-methylquinoline
PubChem CID125497022
Molecular FormulaC16H12IN
Molecular Weight345.18 g/mol
Exact Mass345.00
IUPAC Name2-(4-iodophenyl)-8-methylquinoline
SMILESCc1cccc2ccc(-c3ccc(I)cc3)nc12
InChIInChI=1S/C16H12IN/c1-11-3-2-4-13-7-10-15(18-16(11)13)12-5-8-14(17)9-6-12/h2-10H,1H3
InChIKeySTXXFKTUUIDNLI-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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Related Compounds

8-methyl-2-pyridin-3-ylquinoline
CID 125496977
[2-(4-methylphenyl)quinolin-8-yl]phosphane
CID 140733063
2,6-bis(4-iodophenyl)pyridine
CID 151922265
2-methyl-9-[4-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010507
2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)
CID 159989944
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
2-(2,2-dimethoxyethoxy)-8-methylquinoline
CID 155195689
trimethyl-[(8-methylquinolin-2-yl)-trimethylsilylmethyl]silane
CID 58835845
4-ethyl-8-methyl-2-(8-methylquinolin-2-yl)quinoline
CID 159324536
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-phenylquinolin-8-olate
CID 22660489
4-methyl-6-[4-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 161256909

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-8-methylquinoline?
The IUPAC name of 2-(4-iodophenyl)-8-methylquinoline (CID 125497022) is 2-(4-iodophenyl)-8-methylquinoline.
What is the SMILES notation for 2-(4-iodophenyl)-8-methylquinoline?
The canonical SMILES for 2-(4-iodophenyl)-8-methylquinoline is Cc1cccc2ccc(-c3ccc(I)cc3)nc12.
What is the InChIKey of 2-(4-iodophenyl)-8-methylquinoline?
The InChIKey is STXXFKTUUIDNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN/c1-11-3-2-4-13-7-10-15(18-16(11)13)12-5-8-14(17)9-6-12/h2-10H,1H3.
What are the key properties of 2-(4-iodophenyl)-8-methylquinoline?
2-(4-iodophenyl)-8-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)-8-methylquinoline is sourced from PubChem (CID 125497022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).