1-imidazol-1-ylethanone;quinoline

C14H13N3O — CID 161093040

IUPAC1-imidazol-1-ylethanone;quinoline
SMILESCC(=O)n1ccnc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H6N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(8)7-3-2-6-4-7/h1-7H;2-4H,1H3
InChIKeyUHKWJFCLUIAKLD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.78
Rot. Bonds

About 1-imidazol-1-ylethanone;quinoline

1-imidazol-1-ylethanone;quinoline (PubChem CID 161093040) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-imidazol-1-ylethanone;quinoline.

Molecular Properties

Compound Name1-imidazol-1-ylethanone;quinoline
PubChem CID161093040
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-imidazol-1-ylethanone;quinoline
SMILESCC(=O)n1ccnc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H6N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(8)7-3-2-6-4-7/h1-7H;2-4H,1H3
InChIKeyUHKWJFCLUIAKLD-UHFFFAOYSA-N
XLogP2.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-imidazol-1-ylethanone;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylethanone;quinoline?
The IUPAC name of 1-imidazol-1-ylethanone;quinoline (CID 161093040) is 1-imidazol-1-ylethanone;quinoline.
What is the SMILES notation for 1-imidazol-1-ylethanone;quinoline?
The canonical SMILES for 1-imidazol-1-ylethanone;quinoline is CC(=O)n1ccnc1.c1ccc2ncccc2c1.
What is the InChIKey of 1-imidazol-1-ylethanone;quinoline?
The InChIKey is UHKWJFCLUIAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C5H6N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(8)7-3-2-6-4-7/h1-7H;2-4H,1H3.
What are the key properties of 1-imidazol-1-ylethanone;quinoline?
1-imidazol-1-ylethanone;quinoline has a molecular weight of 239.28 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylethanone;quinoline is sourced from PubChem (CID 161093040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).