4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione

C15H14N2O2 — CID 892117

IUPAC4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(C(C)C)C2=O
InChIInChI=1S/C15H14N2O2/c1-8(2)17-14(18)12-9(3)16-11-7-5-4-6-10(11)13(12)15(17)19/h4-8H,1-3H3
InChIKeyWWKUPPINANCJSV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.55
Rot. Bonds1

About 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione

4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 892117) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID892117
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(C(C)C)C2=O
InChIInChI=1S/C15H14N2O2/c1-8(2)17-14(18)12-9(3)16-11-7-5-4-6-10(11)13(12)15(17)19/h4-8H,1-3H3
InChIKeyWWKUPPINANCJSV-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.55
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 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione (CID 892117) is 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccccc2c2c1C(=O)N(C(C)C)C2=O.
What is the InChIKey of 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is WWKUPPINANCJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-8(2)17-14(18)12-9(3)16-11-7-5-4-6-10(11)13(12)15(17)19/h4-8H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione?
4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 254.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).