3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one

C17H12N4O3 — CID 135511922

IUPAC3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2cccc([N+](=O)[O-])c2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C17H12N4O3/c1-10-15-16(22)13-7-2-3-8-14(13)18-17(15)20(19-10)11-5-4-6-12(9-11)21(23)24/h2-9H,1H3,(H,18,22)
InChIKeyAZGTXWYGNNXQLD-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.08
Rot. Bonds2

About 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one

3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one (PubChem CID 135511922) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one
PubChem CID135511922
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2cccc([N+](=O)[O-])c2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C17H12N4O3/c1-10-15-16(22)13-7-2-3-8-14(13)18-17(15)20(19-10)11-5-4-6-12(9-11)21(23)24/h2-9H,1H3,(H,18,22)
InChIKeyAZGTXWYGNNXQLD-UHFFFAOYSA-N
XLogP3.08
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one (CID 135511922) is 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one is Cc1nn(-c2cccc([N+](=O)[O-])c2)c2[nH]c3ccccc3c(=O)c12.
What is the InChIKey of 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is AZGTXWYGNNXQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c1-10-15-16(22)13-7-2-3-8-14(13)18-17(15)20(19-10)11-5-4-6-12(9-11)21(23)24/h2-9H,1H3,(H,18,22).
What are the key properties of 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one?
3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 320.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-nitrophenyl)-9H-pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 135511922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).