6-chloro-4-phenyl-2-piperazin-1-ylquinazoline

C18H17ClN4 — CID 658787

IUPAC6-chloro-4-phenyl-2-piperazin-1-ylquinazoline
SMILESClc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C18H17ClN4/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)22-18(21-16)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2
InChIKeyUQUXFXRMNTUFQA-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.36
Rot. Bonds2

About 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline

6-chloro-4-phenyl-2-piperazin-1-ylquinazoline (PubChem CID 658787) has the molecular formula C18H17ClN4 and a molecular weight of 324.81 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-piperazin-1-ylquinazoline
PubChem CID658787
Molecular FormulaC18H17ClN4
Molecular Weight324.81 g/mol
Exact Mass324.11
IUPAC Name6-chloro-4-phenyl-2-piperazin-1-ylquinazoline
SMILESClc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C18H17ClN4/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)22-18(21-16)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2
InChIKeyUQUXFXRMNTUFQA-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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Related Compounds

N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
6-Chloroquinazoline-2,4-diamine
CID 256219
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Ezurpimtrostat
CID 121305180
2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 697231
4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
CID 805487
6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 5328819
1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}cyclohexane-1,4-diamine
CID 10115841

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline?
The IUPAC name of 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline (CID 658787) is 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline.
What is the SMILES notation for 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline?
The canonical SMILES for 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline is Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline?
The InChIKey is UQUXFXRMNTUFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)22-18(21-16)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2.
What are the key properties of 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline?
6-chloro-4-phenyl-2-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 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline is sourced from PubChem (CID 658787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).