4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline

C23H23ClN4 — CID 87846889

IUPAC4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline
SMILESClc1nc2cccc(CCC3CCNCC3)c2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C23H23ClN4/c24-23-22-19(15-28(27-22)18-6-2-1-3-7-18)21-17(5-4-8-20(21)26-23)10-9-16-11-13-25-14-12-16/h1-8,15-16,25H,9-14H2
InChIKeyKKXHCVXPAMSUDL-UHFFFAOYSA-N
MW390.92 g/mol
LogP5.16
Rot. Bonds4

About 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline

4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline (PubChem CID 87846889) has the molecular formula C23H23ClN4 and a molecular weight of 390.92 g/mol. Its IUPAC name is 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline
PubChem CID87846889
Molecular FormulaC23H23ClN4
Molecular Weight390.92 g/mol
Exact Mass390.16
IUPAC Name4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline
SMILESClc1nc2cccc(CCC3CCNCC3)c2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C23H23ClN4/c24-23-22-19(15-28(27-22)18-6-2-1-3-7-18)21-17(5-4-8-20(21)26-23)10-9-16-11-13-25-14-12-16/h1-8,15-16,25H,9-14H2
InChIKeyKKXHCVXPAMSUDL-UHFFFAOYSA-N
XLogP5.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.92
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline?
The IUPAC name of 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline (CID 87846889) is 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline?
The canonical SMILES for 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline is Clc1nc2cccc(CCC3CCNCC3)c2c2cn(-c3ccccc3)nc12.
What is the InChIKey of 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline?
The InChIKey is KKXHCVXPAMSUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4/c24-23-22-19(15-28(27-22)18-6-2-1-3-7-18)21-17(5-4-8-20(21)26-23)10-9-16-11-13-25-14-12-16/h1-8,15-16,25H,9-14H2.
What are the key properties of 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline?
4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline has a molecular weight of 390.92 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 87846889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).