3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

C23H15BrN4O2 — CID 46251462

IUPAC3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1
InChIInChI=1S/C23H15BrN4O2/c1-14-5-10-21-19(11-14)23-20(13-25-21)22(15-6-8-16(24)9-7-15)26-27(23)17-3-2-4-18(12-17)28(29)30/h2-13H,1H3
InChIKeyCXTABCZCUNUQEK-UHFFFAOYSA-N
MW459.30 g/mol
LogP6.22
Rot. Bonds3

About 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251462) has the molecular formula C23H15BrN4O2 and a molecular weight of 459.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
PubChem CID46251462
Molecular FormulaC23H15BrN4O2
Molecular Weight459.30 g/mol
Exact Mass458.04
IUPAC Name3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1
InChIInChI=1S/C23H15BrN4O2/c1-14-5-10-21-19(11-14)23-20(13-25-21)22(15-6-8-16(24)9-7-15)26-27(23)17-3-2-4-18(12-17)28(29)30/h2-13H,1H3
InChIKeyCXTABCZCUNUQEK-UHFFFAOYSA-N
XLogP6.22
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.30
LogP ≤ 56.22
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (CID 46251462) is 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1.
What is the InChIKey of 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is CXTABCZCUNUQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN4O2/c1-14-5-10-21-19(11-14)23-20(13-25-21)22(15-6-8-16(24)9-7-15)26-27(23)17-3-2-4-18(12-17)28(29)30/h2-13H,1H3.
What are the key properties of 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 459.30 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-8-methyl-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).