8-iminoquinoline-5,6-dione

C9H6N2O2 — CID 90904484

IUPAC8-iminoquinoline-5,6-dione
SMILES[H]/N=C1\CC(=O)C(=O)c2cccnc21
InChIInChI=1S/C9H6N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-3,10H,4H2/b10-6+
InChIKeySEXHJNWPZFCMFF-UXBLZVDNSA-N
MW174.16 g/mol
LogP0.60
Rot. Bonds

About 8-iminoquinoline-5,6-dione

8-iminoquinoline-5,6-dione (PubChem CID 90904484) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 8-iminoquinoline-5,6-dione.

Molecular Properties

Compound Name8-iminoquinoline-5,6-dione
PubChem CID90904484
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name8-iminoquinoline-5,6-dione
SMILES[H]/N=C1\CC(=O)C(=O)c2cccnc21
InChIInChI=1S/C9H6N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-3,10H,4H2/b10-6+
InChIKeySEXHJNWPZFCMFF-UXBLZVDNSA-N
XLogP0.60
TPSA70.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-iminoquinoline-5,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

4,7-phenanthroline-5,6-dione
CID 6764
cyclopenta[b]pyridine-5,7-dione
CID 20617921
3,4-diiminonaphthalen-1-one
CID 57313844
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
6-cyclopropylidene-1,10-phenanthrolin-5-one
CID 70853557
5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one
CID 160581991
6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 15480973
3,9,12,18-tetrazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-8,13-dione
CID 11000045
CID 70154137
CID 70154137
5-methyl-7H-quinolin-8-one
CID 150305973
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione
CID 118219007

Frequently Asked Questions

What is the IUPAC name of 8-iminoquinoline-5,6-dione?
The IUPAC name of 8-iminoquinoline-5,6-dione (CID 90904484) is 8-iminoquinoline-5,6-dione.
What is the SMILES notation for 8-iminoquinoline-5,6-dione?
The canonical SMILES for 8-iminoquinoline-5,6-dione is [H]/N=C1\CC(=O)C(=O)c2cccnc21.
What is the InChIKey of 8-iminoquinoline-5,6-dione?
The InChIKey is SEXHJNWPZFCMFF-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H6N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-3,10H,4H2/b10-6+.
What are the key properties of 8-iminoquinoline-5,6-dione?
8-iminoquinoline-5,6-dione has a molecular weight of 174.16 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iminoquinoline-5,6-dione is sourced from PubChem (CID 90904484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).