1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline

C23H15FN4O3 — CID 46251410

IUPAC1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H15FN4O3/c1-31-20-4-2-3-18-22(20)25-13-19-21(14-5-9-17(10-6-14)28(29)30)26-27(23(18)19)16-11-7-15(24)8-12-16/h2-13H,1H3
InChIKeyMYKJUUOXELOEBZ-UHFFFAOYSA-N
MW414.40 g/mol
LogP5.30
Rot. Bonds4

About 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline

1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251410) has the molecular formula C23H15FN4O3 and a molecular weight of 414.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
PubChem CID46251410
Molecular FormulaC23H15FN4O3
Molecular Weight414.40 g/mol
Exact Mass414.11
IUPAC Name1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H15FN4O3/c1-31-20-4-2-3-18-22(20)25-13-19-21(14-5-9-17(10-6-14)28(29)30)26-27(23(18)19)16-11-7-15(24)8-12-16/h2-13H,1H3
InChIKeyMYKJUUOXELOEBZ-UHFFFAOYSA-N
XLogP5.30
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852644
6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
CID 20852640
3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251450
8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251420
8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
CID 20852834
7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline
CID 46251426
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
3-(3-bromophenyl)-6-fluoro-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
CID 20852938
8-methoxy-3-(3-methoxyphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251447
6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline
CID 20852710
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline (CID 46251410) is 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline is COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(F)cc3)c12.
What is the InChIKey of 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is MYKJUUOXELOEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3/c1-31-20-4-2-3-18-22(20)25-13-19-21(14-5-9-17(10-6-14)28(29)30)26-27(23(18)19)16-11-7-15(24)8-12-16/h2-13H,1H3.
What are the key properties of 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline?
1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 414.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).