2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one

C17H12N4O4 — CID 58189269

IUPAC2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc([N+](=O)[O-])cc43)c2=O)cc1
InChIInChI=1S/C17H12N4O4/c1-25-12-5-2-10(3-6-12)20-17(22)14-9-18-15-7-4-11(21(23)24)8-13(15)16(14)19-20/h2-9,19H,1H3
InChIKeyIHFRHNLXZAZLEK-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 58189269) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID58189269
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc([N+](=O)[O-])cc43)c2=O)cc1
InChIInChI=1S/C17H12N4O4/c1-25-12-5-2-10(3-6-12)20-17(22)14-9-18-15-7-4-11(21(23)24)8-13(15)16(14)19-20/h2-9,19H,1H3
InChIKeyIHFRHNLXZAZLEK-UHFFFAOYSA-N
XLogP2.78
TPSA103.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'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 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one (CID 58189269) is 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4ccc([N+](=O)[O-])cc43)c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is IHFRHNLXZAZLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c1-25-12-5-2-10(3-6-12)20-17(22)14-9-18-15-7-4-11(21(23)24)8-13(15)16(14)19-20/h2-9,19H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 336.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-8-nitro-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 58189269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).