3H-cyclohepta[f]quinoline-1,2-dione

C14H9NO2 — CID 88696694

IUPAC3H-cyclohepta[f]quinoline-1,2-dione
SMILESO=C1CN=c2ccc3c(c2C1=O)C=CC=CC=3
InChIInChI=1S/C14H9NO2/c16-12-8-15-11-7-6-9-4-2-1-3-5-10(9)13(11)14(12)17/h1-7H,8H2
InChIKeyZTUKEFAUSZBDQW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.44
Rot. Bonds

About 3H-cyclohepta[f]quinoline-1,2-dione

3H-cyclohepta[f]quinoline-1,2-dione (PubChem CID 88696694) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3H-cyclohepta[f]quinoline-1,2-dione.

Molecular Properties

Compound Name3H-cyclohepta[f]quinoline-1,2-dione
PubChem CID88696694
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name3H-cyclohepta[f]quinoline-1,2-dione
SMILESO=C1CN=c2ccc3c(c2C1=O)C=CC=CC=3
InChIInChI=1S/C14H9NO2/c16-12-8-15-11-7-6-9-4-2-1-3-5-10(9)13(11)14(12)17/h1-7H,8H2
InChIKeyZTUKEFAUSZBDQW-UHFFFAOYSA-N
XLogP0.44
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3H-cyclohepta[f]quinoline-1,2-dione?
The IUPAC name of 3H-cyclohepta[f]quinoline-1,2-dione (CID 88696694) is 3H-cyclohepta[f]quinoline-1,2-dione.
What is the SMILES notation for 3H-cyclohepta[f]quinoline-1,2-dione?
The canonical SMILES for 3H-cyclohepta[f]quinoline-1,2-dione is O=C1CN=c2ccc3c(c2C1=O)C=CC=CC=3.
What is the InChIKey of 3H-cyclohepta[f]quinoline-1,2-dione?
The InChIKey is ZTUKEFAUSZBDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-12-8-15-11-7-6-9-4-2-1-3-5-10(9)13(11)14(12)17/h1-7H,8H2.
What are the key properties of 3H-cyclohepta[f]quinoline-1,2-dione?
3H-cyclohepta[f]quinoline-1,2-dione has a molecular weight of 223.23 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-cyclohepta[f]quinoline-1,2-dione is sourced from PubChem (CID 88696694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).