N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide

C20H20ClN5 — CID 59789927

IUPACN'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide
SMILESN/C(=N\c1ccc(Cl)cc1)c1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C20H20ClN5/c21-16-3-5-17(6-4-16)24-20(22)15-1-7-18-14(13-15)2-8-19(25-18)26-11-9-23-10-12-26/h1-8,13,23H,9-12H2,(H2,22,24)
InChIKeyUUJWHIHRAAGHIE-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.33
Rot. Bonds3

About N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide

N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide (PubChem CID 59789927) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide
PubChem CID59789927
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC NameN'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide
SMILESN/C(=N\c1ccc(Cl)cc1)c1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C20H20ClN5/c21-16-3-5-17(6-4-16)24-20(22)15-1-7-18-14(13-15)2-8-19(25-18)26-11-9-23-10-12-26/h1-8,13,23H,9-12H2,(H2,22,24)
InChIKeyUUJWHIHRAAGHIE-UHFFFAOYSA-N
XLogP3.33
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide?
The IUPAC name of N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide (CID 59789927) is N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide is N/C(=N\c1ccc(Cl)cc1)c1ccc2nc(N3CCNCC3)ccc2c1.
What is the InChIKey of N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide?
The InChIKey is UUJWHIHRAAGHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c21-16-3-5-17(6-4-16)24-20(22)15-1-7-18-14(13-15)2-8-19(25-18)26-11-9-23-10-12-26/h1-8,13,23H,9-12H2,(H2,22,24).
What are the key properties of N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide?
N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide has a molecular weight of 365.87 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide is sourced from PubChem (CID 59789927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).