iodomethane;4-methylquinoline

C11H12IN — CID 161278358

IUPACiodomethane;4-methylquinoline
SMILESCI.Cc1ccnc2ccccc12
InChIInChI=1S/C10H9N.CH3I/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-7H,1H3;1H3
InChIKeyVESXVQZNTBBIFK-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.59
Rot. Bonds

About iodomethane;4-methylquinoline

iodomethane;4-methylquinoline (PubChem CID 161278358) has the molecular formula C11H12IN and a molecular weight of 285.13 g/mol. Its IUPAC name is iodomethane;4-methylquinoline.

Molecular Properties

Compound Nameiodomethane;4-methylquinoline
PubChem CID161278358
Molecular FormulaC11H12IN
Molecular Weight285.13 g/mol
Exact Mass285.00
IUPAC Nameiodomethane;4-methylquinoline
SMILESCI.Cc1ccnc2ccccc12
InChIInChI=1S/C10H9N.CH3I/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-7H,1H3;1H3
InChIKeyVESXVQZNTBBIFK-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methylquinoline
CID 90853056
argon;4-methylquinoline
CID 175059803
4-methoxyquinoline;4-methylquinoline
CID 71009048
ethane;4-methyl-1,8-naphthyridine
CID 143124676
benzo[f]quinoline;iodomethane
CID 21121996
N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine
CID 79106887
4-pyrimidin-2-ylquinoline
CID 123157198
4-chloroquinoline;ethane
CID 91461667
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
CID 58870156
ethane;N-methylethanimine;1-methyl-3-phenylpyrrole;4-methylquinoline
CID 142961899
7-tert-butyl-4-methylquinoline
CID 176586336

Frequently Asked Questions

What is the IUPAC name of iodomethane;4-methylquinoline?
The IUPAC name of iodomethane;4-methylquinoline (CID 161278358) is iodomethane;4-methylquinoline.
What is the SMILES notation for iodomethane;4-methylquinoline?
The canonical SMILES for iodomethane;4-methylquinoline is CI.Cc1ccnc2ccccc12.
What is the InChIKey of iodomethane;4-methylquinoline?
The InChIKey is VESXVQZNTBBIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.CH3I/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-2/h2-7H,1H3;1H3.
What are the key properties of iodomethane;4-methylquinoline?
iodomethane;4-methylquinoline has a molecular weight of 285.13 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;4-methylquinoline is sourced from PubChem (CID 161278358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).