2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione

C16H11N3O2 — CID 15032471

IUPAC2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione
SMILESO=c1[nH]c2ccccc2c2c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C16H11N3O2/c20-15-14-13(11-8-4-5-9-12(11)17-15)16(21)19(18-14)10-6-2-1-3-7-10/h1-9,18H,(H,17,20)
InChIKeyPAHZJYVAKCMOHL-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.16
Rot. Bonds1

About 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione

2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione (PubChem CID 15032471) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione.

Molecular Properties

Compound Name2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione
PubChem CID15032471
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione
SMILESO=c1[nH]c2ccccc2c2c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C16H11N3O2/c20-15-14-13(11-8-4-5-9-12(11)17-15)16(21)19(18-14)10-6-2-1-3-7-10/h1-9,18H,(H,17,20)
InChIKeyPAHZJYVAKCMOHL-UHFFFAOYSA-N
XLogP2.16
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione?
The IUPAC name of 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione (CID 15032471) is 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione.
What is the SMILES notation for 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione?
The canonical SMILES for 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione is O=c1[nH]c2ccccc2c2c(=O)n(-c3ccccc3)[nH]c12.
What is the InChIKey of 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione?
The InChIKey is PAHZJYVAKCMOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-15-14-13(11-8-4-5-9-12(11)17-15)16(21)19(18-14)10-6-2-1-3-7-10/h1-9,18H,(H,17,20).
What are the key properties of 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione?
2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione has a molecular weight of 277.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,5-dihydropyrazolo[3,4-c]quinoline-1,4-dione is sourced from PubChem (CID 15032471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).