4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione

C18H16N4O2 — CID 6735722

IUPAC4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCc1nc2ccccc2c2c1C(=O)N(CCc1cnc[nH]1)C2=O
InChIInChI=1S/C18H16N4O2/c1-2-13-16-15(12-5-3-4-6-14(12)21-13)17(23)22(18(16)24)8-7-11-9-19-10-20-11/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeyZBFSXFGOFLTYJM-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.36
Rot. Bonds4

About 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione

4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 6735722) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID6735722
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCc1nc2ccccc2c2c1C(=O)N(CCc1cnc[nH]1)C2=O
InChIInChI=1S/C18H16N4O2/c1-2-13-16-15(12-5-3-4-6-14(12)21-13)17(23)22(18(16)24)8-7-11-9-19-10-20-11/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeyZBFSXFGOFLTYJM-UHFFFAOYSA-N
XLogP2.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione (CID 6735722) is 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione is CCc1nc2ccccc2c2c1C(=O)N(CCc1cnc[nH]1)C2=O.
What is the InChIKey of 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is ZBFSXFGOFLTYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-13-16-15(12-5-3-4-6-14(12)21-13)17(23)22(18(16)24)8-7-11-9-19-10-20-11/h3-6,9-10H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione?
4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 320.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 6735722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).