iodoethane;6-methylquinoline

C12H14IN — CID 160581758

IUPACiodoethane;6-methylquinoline
SMILESCCI.Cc1ccc2ncccc2c1
InChIInChI=1S/C10H9N.C2H5I/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-2-3/h2-7H,1H3;2H2,1H3
InChIKeyRBWKMBGJNLCNDP-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.98
Rot. Bonds

About iodoethane;6-methylquinoline

iodoethane;6-methylquinoline (PubChem CID 160581758) has the molecular formula C12H14IN and a molecular weight of 299.16 g/mol. Its IUPAC name is iodoethane;6-methylquinoline.

Molecular Properties

Compound Nameiodoethane;6-methylquinoline
PubChem CID160581758
Molecular FormulaC12H14IN
Molecular Weight299.16 g/mol
Exact Mass299.02
IUPAC Nameiodoethane;6-methylquinoline
SMILESCCI.Cc1ccc2ncccc2c1
InChIInChI=1S/C10H9N.C2H5I/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-2-3/h2-7H,1H3;2H2,1H3
InChIKeyRBWKMBGJNLCNDP-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.98
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

6-methylquinoline
CID 7059
4-methylpyridine;6-methylquinoline
CID 142243578
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
6-(3-methylphenyl)quinoline
CID 4185278
6-[(2,5-dimethylphenyl)methyl]quinoline
CID 156905634
6-[2-(4-methylphenyl)ethynyl]quinoline
CID 58362500
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
6-[2-(4-methylphenyl)cyclobutyl]quinoline
CID 172635808
2-(2,5-dimethylphenyl)-1-quinolin-6-ylethanamine
CID 63097558

Frequently Asked Questions

What is the IUPAC name of iodoethane;6-methylquinoline?
The IUPAC name of iodoethane;6-methylquinoline (CID 160581758) is iodoethane;6-methylquinoline.
What is the SMILES notation for iodoethane;6-methylquinoline?
The canonical SMILES for iodoethane;6-methylquinoline is CCI.Cc1ccc2ncccc2c1.
What is the InChIKey of iodoethane;6-methylquinoline?
The InChIKey is RBWKMBGJNLCNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H5I/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-2-3/h2-7H,1H3;2H2,1H3.
What are the key properties of iodoethane;6-methylquinoline?
iodoethane;6-methylquinoline has a molecular weight of 299.16 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodoethane;6-methylquinoline is sourced from PubChem (CID 160581758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).