7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline

C23H14F2N4O2 — CID 46251426

IUPAC7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(F)c(F)cc23)cc1
InChIInChI=1S/C23H14F2N4O2/c1-13-5-7-14(8-6-13)22-18-12-26-21-11-20(25)19(24)10-17(21)23(18)28(27-22)15-3-2-4-16(9-15)29(30)31/h2-12H,1H3
InChIKeyPXEIZRQDTZDNMU-UHFFFAOYSA-N
MW416.39 g/mol
LogP5.74
Rot. Bonds3

About 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline

7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline (PubChem CID 46251426) has the molecular formula C23H14F2N4O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline
PubChem CID46251426
Molecular FormulaC23H14F2N4O2
Molecular Weight416.39 g/mol
Exact Mass416.11
IUPAC Name7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(F)c(F)cc23)cc1
InChIInChI=1S/C23H14F2N4O2/c1-13-5-7-14(8-6-13)22-18-12-26-21-11-20(25)19(24)10-17(21)23(18)28(27-22)15-3-2-4-16(9-15)29(30)31/h2-12H,1H3
InChIKeyPXEIZRQDTZDNMU-UHFFFAOYSA-N
XLogP5.74
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.39
LogP ≤ 55.74
H-Bond Donors ≤ 50
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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Related Compounds

3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
CID 46251422
8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251420
ethyl 3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 46251423
8-methoxy-3-(3-methoxyphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251447
3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251450
1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953395
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396
3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852644
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567
1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251410
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852730
3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline
CID 20852861

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline (CID 46251426) is 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline is Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(F)c(F)cc23)cc1.
What is the InChIKey of 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline?
The InChIKey is PXEIZRQDTZDNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4O2/c1-13-5-7-14(8-6-13)22-18-12-26-21-11-20(25)19(24)10-17(21)23(18)28(27-22)15-3-2-4-16(9-15)29(30)31/h2-12H,1H3.
What are the key properties of 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline?
7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline has a molecular weight of 416.39 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 46251426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).