3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline

C23H15BrClN3O — CID 171775671

IUPAC3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccc(Br)c(Cl)c4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C23H15BrClN3O/c1-29-16-8-10-21-17(12-16)23-18(13-26-21)22(14-7-9-19(24)20(25)11-14)27-28(23)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyPPWBIBNLRALAMN-UHFFFAOYSA-N
MW464.75 g/mol
LogP6.67
Rot. Bonds3

About 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline

3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline (PubChem CID 171775671) has the molecular formula C23H15BrClN3O and a molecular weight of 464.75 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline
PubChem CID171775671
Molecular FormulaC23H15BrClN3O
Molecular Weight464.75 g/mol
Exact Mass463.01
IUPAC Name3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccc(Br)c(Cl)c4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C23H15BrClN3O/c1-29-16-8-10-21-17(12-16)23-18(13-26-21)22(14-7-9-19(24)20(25)11-14)27-28(23)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyPPWBIBNLRALAMN-UHFFFAOYSA-N
XLogP6.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.75
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline (CID 171775671) is 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline is COc1ccc2ncc3c(-c4ccc(Br)c(Cl)c4)nn(-c4ccccc4)c3c2c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is PPWBIBNLRALAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrClN3O/c1-29-16-8-10-21-17(12-16)23-18(13-26-21)22(14-7-9-19(24)20(25)11-14)27-28(23)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline?
3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 464.75 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 171775671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).