7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one

C16H8ClFN4O3 — CID 1208371

IUPAC7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1[nH]nc2c3cc([N+](=O)[O-])c(Cl)cc3n(-c3ccc(F)cc3)cc1-2
InChIInChI=1S/C16H8ClFN4O3/c17-12-6-13-10(5-14(12)22(24)25)15-11(16(23)20-19-15)7-21(13)9-3-1-8(18)2-4-9/h1-7H,(H,20,23)
InChIKeySOQFJCFTWWWKHM-UHFFFAOYSA-N
MW358.72 g/mol
LogP3.52
Rot. Bonds2

About 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one

7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 1208371) has the molecular formula C16H8ClFN4O3 and a molecular weight of 358.72 g/mol. Its IUPAC name is 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID1208371
Molecular FormulaC16H8ClFN4O3
Molecular Weight358.72 g/mol
Exact Mass358.03
IUPAC Name7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1[nH]nc2c3cc([N+](=O)[O-])c(Cl)cc3n(-c3ccc(F)cc3)cc1-2
InChIInChI=1S/C16H8ClFN4O3/c17-12-6-13-10(5-14(12)22(24)25)15-11(16(23)20-19-15)7-21(13)9-3-1-8(18)2-4-9/h1-7H,(H,20,23)
InChIKeySOQFJCFTWWWKHM-UHFFFAOYSA-N
XLogP3.52
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.72
LogP ≤ 53.52
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 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one (CID 1208371) is 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one is O=c1[nH]nc2c3cc([N+](=O)[O-])c(Cl)cc3n(-c3ccc(F)cc3)cc1-2.
What is the InChIKey of 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is SOQFJCFTWWWKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN4O3/c17-12-6-13-10(5-14(12)22(24)25)15-11(16(23)20-19-15)7-21(13)9-3-1-8(18)2-4-9/h1-7H,(H,20,23).
What are the key properties of 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one?
7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 358.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-fluorophenyl)-8-nitro-2H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 1208371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).