2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline

C18H17ClN4 — CID 3232608

IUPAC2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline
SMILESClc1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1
InChIInChI=1S/C18H17ClN4/c19-15-7-3-1-5-13(15)17-21-16-8-4-2-6-14(16)18(22-17)23-11-9-20-10-12-23/h1-8,20H,9-12H2
InChIKeyHMWXJVFJTFOLIR-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.36
Rot. Bonds2

About 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline

2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline (PubChem CID 3232608) has the molecular formula C18H17ClN4 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline
PubChem CID3232608
Molecular FormulaC18H17ClN4
Molecular Weight324.81 g/mol
Exact Mass324.11
IUPAC Name2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline
SMILESClc1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1
InChIInChI=1S/C18H17ClN4/c19-15-7-3-1-5-13(15)17-21-16-8-4-2-6-14(16)18(22-17)23-11-9-20-10-12-23/h1-8,20H,9-12H2
InChIKeyHMWXJVFJTFOLIR-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline?
The IUPAC name of 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline (CID 3232608) is 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline?
The canonical SMILES for 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline is Clc1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1.
What is the InChIKey of 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline?
The InChIKey is HMWXJVFJTFOLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-15-7-3-1-5-13(15)17-21-16-8-4-2-6-14(16)18(22-17)23-11-9-20-10-12-23/h1-8,20H,9-12H2.
What are the key properties of 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline?
2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline has a molecular weight of 324.81 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 3232608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).