1,3-dimethylimidazolidine-2-carbaldehyde;quinoline

C15H19N3O — CID 174748611

IUPAC1,3-dimethylimidazolidine-2-carbaldehyde;quinoline
SMILESCN1CCN(C)C1C=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H12N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-7-3-4-8(2)6(7)5-9/h1-7H;5-6H,3-4H2,1-2H3
InChIKeyAGXAKFGLKYYVGB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.62
Rot. Bonds1

About 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline

1,3-dimethylimidazolidine-2-carbaldehyde;quinoline (PubChem CID 174748611) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline.

Molecular Properties

Compound Name1,3-dimethylimidazolidine-2-carbaldehyde;quinoline
PubChem CID174748611
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1,3-dimethylimidazolidine-2-carbaldehyde;quinoline
SMILESCN1CCN(C)C1C=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H12N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-7-3-4-8(2)6(7)5-9/h1-7H;5-6H,3-4H2,1-2H3
InChIKeyAGXAKFGLKYYVGB-UHFFFAOYSA-N
XLogP1.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline?
The IUPAC name of 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline (CID 174748611) is 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline.
What is the SMILES notation for 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline?
The canonical SMILES for 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline is CN1CCN(C)C1C=O.c1ccc2ncccc2c1.
What is the InChIKey of 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline?
The InChIKey is AGXAKFGLKYYVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H12N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-7-3-4-8(2)6(7)5-9/h1-7H;5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline?
1,3-dimethylimidazolidine-2-carbaldehyde;quinoline has a molecular weight of 257.34 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidine-2-carbaldehyde;quinoline is sourced from PubChem (CID 174748611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).