5-ethylchromeno[3,2-c]quinoline-6,7-dione

C18H13NO3 — CID 12511623

IUPAC5-ethylchromeno[3,2-c]quinoline-6,7-dione
SMILESCCn1c(=O)c2c(=O)c3ccccc3oc2c2ccccc21
InChIInChI=1S/C18H13NO3/c1-2-19-13-9-5-3-7-11(13)17-15(18(19)21)16(20)12-8-4-6-10-14(12)22-17/h3-10H,2H2,1H3
InChIKeyTZOZMBIVEIAYTA-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.28
Rot. Bonds1

About 5-ethylchromeno[3,2-c]quinoline-6,7-dione

5-ethylchromeno[3,2-c]quinoline-6,7-dione (PubChem CID 12511623) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-ethylchromeno[3,2-c]quinoline-6,7-dione.

Molecular Properties

Compound Name5-ethylchromeno[3,2-c]quinoline-6,7-dione
PubChem CID12511623
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name5-ethylchromeno[3,2-c]quinoline-6,7-dione
SMILESCCn1c(=O)c2c(=O)c3ccccc3oc2c2ccccc21
InChIInChI=1S/C18H13NO3/c1-2-19-13-9-5-3-7-11(13)17-15(18(19)21)16(20)12-8-4-6-10-14(12)22-17/h3-10H,2H2,1H3
InChIKeyTZOZMBIVEIAYTA-UHFFFAOYSA-N
XLogP3.28
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-ethylchromeno[3,2-c]quinoline-6,7-dione 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 5-ethylchromeno[3,2-c]quinoline-6,7-dione?
The IUPAC name of 5-ethylchromeno[3,2-c]quinoline-6,7-dione (CID 12511623) is 5-ethylchromeno[3,2-c]quinoline-6,7-dione.
What is the SMILES notation for 5-ethylchromeno[3,2-c]quinoline-6,7-dione?
The canonical SMILES for 5-ethylchromeno[3,2-c]quinoline-6,7-dione is CCn1c(=O)c2c(=O)c3ccccc3oc2c2ccccc21.
What is the InChIKey of 5-ethylchromeno[3,2-c]quinoline-6,7-dione?
The InChIKey is TZOZMBIVEIAYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-2-19-13-9-5-3-7-11(13)17-15(18(19)21)16(20)12-8-4-6-10-14(12)22-17/h3-10H,2H2,1H3.
What are the key properties of 5-ethylchromeno[3,2-c]quinoline-6,7-dione?
5-ethylchromeno[3,2-c]quinoline-6,7-dione has a molecular weight of 291.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylchromeno[3,2-c]quinoline-6,7-dione is sourced from PubChem (CID 12511623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).