3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

C25H20N4O5 — CID 46251450

IUPAC3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1
InChIInChI=1S/C25H20N4O5/c1-32-18-8-9-21-19(13-18)25-20(14-26-21)24(15-7-10-22(33-2)23(11-15)34-3)27-28(25)16-5-4-6-17(12-16)29(30)31/h4-14H,1-3H3
InChIKeyKPUNDLOWACYWOY-UHFFFAOYSA-N
MW456.46 g/mol
LogP5.17
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251450) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
PubChem CID46251450
Molecular FormulaC25H20N4O5
Molecular Weight456.46 g/mol
Exact Mass456.14
IUPAC Name3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1
InChIInChI=1S/C25H20N4O5/c1-32-18-8-9-21-19(13-18)25-20(14-26-21)24(15-7-10-22(33-2)23(11-15)34-3)27-28(25)16-5-4-6-17(12-16)29(30)31/h4-14H,1-3H3
InChIKeyKPUNDLOWACYWOY-UHFFFAOYSA-N
XLogP5.17
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-3-(3-methoxyphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251447
8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251420
7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline
CID 46251426
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567
ethyl 3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 46251423
3-(4-methylphenyl)-1-(3-nitrophenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
CID 46251422
3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline
CID 171775671
8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
CID 20852834
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline
CID 20852858
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
1-(4-fluorophenyl)-6-methoxy-3-(4-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251410
1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 20852727

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (CID 46251450) is 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is KPUNDLOWACYWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O5/c1-32-18-8-9-21-19(13-18)25-20(14-26-21)24(15-7-10-22(33-2)23(11-15)34-3)27-28(25)16-5-4-6-17(12-16)29(30)31/h4-14H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 456.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-8-methoxy-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).