3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane

C17H23NO2 — CID 156718025

IUPAC3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane
SMILESCC1CC1.CO.Cc1cnc2c(C)cc(C=O)cc2c1
InChIInChI=1S/C12H11NO.C4H8.CH4O/c1-8-3-11-5-10(7-14)4-9(2)12(11)13-6-8;1-4-2-3-4;1-2/h3-7H,1-2H3;4H,2-3H2,1H3;2H,1H3
InChIKeyYEPMPBMCJBLYCY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.69
Rot. Bonds1

About 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane

3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane (PubChem CID 156718025) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane.

Molecular Properties

Compound Name3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane
PubChem CID156718025
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane
SMILESCC1CC1.CO.Cc1cnc2c(C)cc(C=O)cc2c1
InChIInChI=1S/C12H11NO.C4H8.CH4O/c1-8-3-11-5-10(7-14)4-9(2)12(11)13-6-8;1-4-2-3-4;1-2/h3-7H,1-2H3;4H,2-3H2,1H3;2H,1H3
InChIKeyYEPMPBMCJBLYCY-UHFFFAOYSA-N
XLogP3.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane?
The IUPAC name of 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane (CID 156718025) is 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane.
What is the SMILES notation for 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane?
The canonical SMILES for 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane is CC1CC1.CO.Cc1cnc2c(C)cc(C=O)cc2c1.
What is the InChIKey of 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane?
The InChIKey is YEPMPBMCJBLYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C4H8.CH4O/c1-8-3-11-5-10(7-14)4-9(2)12(11)13-6-8;1-4-2-3-4;1-2/h3-7H,1-2H3;4H,2-3H2,1H3;2H,1H3.
What are the key properties of 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane?
3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane has a molecular weight of 273.38 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane is sourced from PubChem (CID 156718025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).