2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione

C18H11ClN2O2 — CID 134092748

IUPAC2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione
SMILESCc1ccc(N2C(=O)c3cc4ccccc4nc3C2=O)c(Cl)c1
InChIInChI=1S/C18H11ClN2O2/c1-10-6-7-15(13(19)8-10)21-17(22)12-9-11-4-2-3-5-14(11)20-16(12)18(21)23/h2-9H,1H3
InChIKeyMIGYPZMPUUYRIN-UHFFFAOYSA-N
MW322.75 g/mol
LogP4.00
Rot. Bonds1

About 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione

2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione (PubChem CID 134092748) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione
PubChem CID134092748
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione
SMILESCc1ccc(N2C(=O)c3cc4ccccc4nc3C2=O)c(Cl)c1
InChIInChI=1S/C18H11ClN2O2/c1-10-6-7-15(13(19)8-10)21-17(22)12-9-11-4-2-3-5-14(11)20-16(12)18(21)23/h2-9H,1H3
InChIKeyMIGYPZMPUUYRIN-UHFFFAOYSA-N
XLogP4.00
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione?
The IUPAC name of 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione (CID 134092748) is 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione is Cc1ccc(N2C(=O)c3cc4ccccc4nc3C2=O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione?
The InChIKey is MIGYPZMPUUYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c1-10-6-7-15(13(19)8-10)21-17(22)12-9-11-4-2-3-5-14(11)20-16(12)18(21)23/h2-9H,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione?
2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione has a molecular weight of 322.75 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)pyrrolo[3,4-b]quinoline-1,3-dione is sourced from PubChem (CID 134092748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).