(6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one

C13H11N3O — CID 10220155

IUPAC(6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one
SMILESO=C1/C(=C\c2cnc[nH]2)CCc2ncccc21
InChIInChI=1S/C13H11N3O/c17-13-9(6-10-7-14-8-16-10)3-4-12-11(13)2-1-5-15-12/h1-2,5-8H,3-4H2,(H,14,16)/b9-6-
InChIKeyMYMDFSCQVUQRNA-TWGQIWQCSA-N
MW225.25 g/mol
LogP2.02
Rot. Bonds1

About (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one

(6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one (PubChem CID 10220155) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name(6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one
PubChem CID10220155
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name(6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one
SMILESO=C1/C(=C\c2cnc[nH]2)CCc2ncccc21
InChIInChI=1S/C13H11N3O/c17-13-9(6-10-7-14-8-16-10)3-4-12-11(13)2-1-5-15-12/h1-2,5-8H,3-4H2,(H,14,16)/b9-6-
InChIKeyMYMDFSCQVUQRNA-TWGQIWQCSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one?
The IUPAC name of (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one (CID 10220155) is (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one.
What is the SMILES notation for (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one?
The canonical SMILES for (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one is O=C1/C(=C\c2cnc[nH]2)CCc2ncccc21.
What is the InChIKey of (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one?
The InChIKey is MYMDFSCQVUQRNA-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-9(6-10-7-14-8-16-10)3-4-12-11(13)2-1-5-15-12/h1-2,5-8H,3-4H2,(H,14,16)/b9-6-.
What are the key properties of (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one?
(6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(1H-imidazol-5-ylmethylidene)-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 10220155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).