2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline

C15H13N3O — CID 142042338

IUPAC2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline
SMILESc1ccc2nc(Cn3cncc3C3CO3)ccc2c1
InChIInChI=1S/C15H13N3O/c1-2-4-13-11(3-1)5-6-12(17-13)8-18-10-16-7-14(18)15-9-19-15/h1-7,10,15H,8-9H2
InChIKeyNFFFKJRAIFESTP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.55
Rot. Bonds3

About 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline

2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline (PubChem CID 142042338) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline
PubChem CID142042338
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline
SMILESc1ccc2nc(Cn3cncc3C3CO3)ccc2c1
InChIInChI=1S/C15H13N3O/c1-2-4-13-11(3-1)5-6-12(17-13)8-18-10-16-7-14(18)15-9-19-15/h1-7,10,15H,8-9H2
InChIKeyNFFFKJRAIFESTP-UHFFFAOYSA-N
XLogP2.55
TPSA43.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline?
The IUPAC name of 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline (CID 142042338) is 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline is c1ccc2nc(Cn3cncc3C3CO3)ccc2c1.
What is the InChIKey of 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline?
The InChIKey is NFFFKJRAIFESTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-4-13-11(3-1)5-6-12(17-13)8-18-10-16-7-14(18)15-9-19-15/h1-7,10,15H,8-9H2.
What are the key properties of 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline?
2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline has a molecular weight of 251.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline is sourced from PubChem (CID 142042338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).