3-(dimethoxymethyl)-2-methylquinoline

C13H15NO2 — CID 12554591

IUPAC3-(dimethoxymethyl)-2-methylquinoline
SMILESCOC(OC)c1cc2ccccc2nc1C
InChIInChI=1S/C13H15NO2/c1-9-11(13(15-2)16-3)8-10-6-4-5-7-12(10)14-9/h4-8,13H,1-3H3
InChIKeyBTICCIVFKDIAFX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.83
Rot. Bonds3

About 3-(dimethoxymethyl)-2-methylquinoline

3-(dimethoxymethyl)-2-methylquinoline (PubChem CID 12554591) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-2-methylquinoline.

Molecular Properties

Compound Name3-(dimethoxymethyl)-2-methylquinoline
PubChem CID12554591
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(dimethoxymethyl)-2-methylquinoline
SMILESCOC(OC)c1cc2ccccc2nc1C
InChIInChI=1S/C13H15NO2/c1-9-11(13(15-2)16-3)8-10-6-4-5-7-12(10)14-9/h4-8,13H,1-3H3
InChIKeyBTICCIVFKDIAFX-UHFFFAOYSA-N
XLogP2.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Quinolineethanol
CID 70532
2-(4,5-Dihydro-2-oxazolyl)quinoline
CID 828047
3-[(Benzyloxy)methyl]-5-fluoro-2-methylquinolin-4-amine
CID 11098484
2-Methoxyquinoline
CID 138869
Quinoline, 4-methyl-2-(vinyloxy)-
CID 214959
Quinoline, 2-methyl-4-(vinyloxy)-
CID 3054468
2-Methoxy-4-methylquinoline
CID 84796
(2-Methylquinolin-6-yl)methanol
CID 2795481
[3-(Hydroxymethyl)quinolin-2-yl]methanol
CID 11206266
Quinoline-2-methanol acetate
CID 273161
7-(3-(Methoxymethyl)phenyl)-2-methylquinoline
CID 44432664
4,6-Dimethyl-1,3-dihydrofuro[3,4-c]quinoline
CID 2816002

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-2-methylquinoline?
The IUPAC name of 3-(dimethoxymethyl)-2-methylquinoline (CID 12554591) is 3-(dimethoxymethyl)-2-methylquinoline.
What is the SMILES notation for 3-(dimethoxymethyl)-2-methylquinoline?
The canonical SMILES for 3-(dimethoxymethyl)-2-methylquinoline is COC(OC)c1cc2ccccc2nc1C.
What is the InChIKey of 3-(dimethoxymethyl)-2-methylquinoline?
The InChIKey is BTICCIVFKDIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-11(13(15-2)16-3)8-10-6-4-5-7-12(10)14-9/h4-8,13H,1-3H3.
What are the key properties of 3-(dimethoxymethyl)-2-methylquinoline?
3-(dimethoxymethyl)-2-methylquinoline has a molecular weight of 217.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-2-methylquinoline is sourced from PubChem (CID 12554591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).