3-iodo-4-methylbenzo[g]quinoline-5,10-dione

C14H8INO2 — CID 46918599

IUPAC3-iodo-4-methylbenzo[g]quinoline-5,10-dione
SMILESCc1c(I)cnc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H8INO2/c1-7-10(15)6-16-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3
InChIKeyJCWLMEOOYFHCJQ-UHFFFAOYSA-N
MW349.13 g/mol
LogP2.77
Rot. Bonds

About 3-iodo-4-methylbenzo[g]quinoline-5,10-dione

3-iodo-4-methylbenzo[g]quinoline-5,10-dione (PubChem CID 46918599) has the molecular formula C14H8INO2 and a molecular weight of 349.13 g/mol. Its IUPAC name is 3-iodo-4-methylbenzo[g]quinoline-5,10-dione.

Molecular Properties

Compound Name3-iodo-4-methylbenzo[g]quinoline-5,10-dione
PubChem CID46918599
Molecular FormulaC14H8INO2
Molecular Weight349.13 g/mol
Exact Mass348.96
IUPAC Name3-iodo-4-methylbenzo[g]quinoline-5,10-dione
SMILESCc1c(I)cnc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H8INO2/c1-7-10(15)6-16-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3
InChIKeyJCWLMEOOYFHCJQ-UHFFFAOYSA-N
XLogP2.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methylbenzo[g]quinoline-5,10-dione
CID 19701080
acetonitrile;methyl 2-(3-iodo-5,10-dioxobenzo[g]quinolin-4-yl)benzoate
CID 139191351
2-methylindeno[2,1-d]pyrimidin-9-one
CID 23636012
1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
CID 153490221
4-methylbenzo[g]isoquinoline-5,10-dione
CID 73350960
4H-indeno[1,2-b]pyrazine-3,9-dione
CID 19035976
anthracene-9,10-dione;propane
CID 162068050
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
2-chloro-1-methylfluoren-9-one
CID 132580137
2-methylbenzo[j]phenanthridine-7,12-dione
CID 57328334
benzo[f][2,1,3]benzothiadiazole-4,9-dione
CID 5257611
3-pyridin-2-ylbenzo[g]quinoxaline-5,10-dione
CID 10732016

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methylbenzo[g]quinoline-5,10-dione?
The IUPAC name of 3-iodo-4-methylbenzo[g]quinoline-5,10-dione (CID 46918599) is 3-iodo-4-methylbenzo[g]quinoline-5,10-dione.
What is the SMILES notation for 3-iodo-4-methylbenzo[g]quinoline-5,10-dione?
The canonical SMILES for 3-iodo-4-methylbenzo[g]quinoline-5,10-dione is Cc1c(I)cnc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-iodo-4-methylbenzo[g]quinoline-5,10-dione?
The InChIKey is JCWLMEOOYFHCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8INO2/c1-7-10(15)6-16-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3.
What are the key properties of 3-iodo-4-methylbenzo[g]quinoline-5,10-dione?
3-iodo-4-methylbenzo[g]quinoline-5,10-dione has a molecular weight of 349.13 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methylbenzo[g]quinoline-5,10-dione is sourced from PubChem (CID 46918599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).