2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde

C20H25ClN4O — CID 87723526

IUPAC2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde
SMILESO=CCN1CCN(c2nc(C3CCCCC3)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H25ClN4O/c21-16-6-7-18-17(14-16)20(25-10-8-24(9-11-25)12-13-26)23-19(22-18)15-4-2-1-3-5-15/h6-7,13-15H,1-5,8-12H2
InChIKeyLZIUUSYHRUGKGH-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.65
Rot. Bonds4

About 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde

2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde (PubChem CID 87723526) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde
PubChem CID87723526
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde
SMILESO=CCN1CCN(c2nc(C3CCCCC3)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H25ClN4O/c21-16-6-7-18-17(14-16)20(25-10-8-24(9-11-25)12-13-26)23-19(22-18)15-4-2-1-3-5-15/h6-7,13-15H,1-5,8-12H2
InChIKeyLZIUUSYHRUGKGH-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde (CID 87723526) is 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde is O=CCN1CCN(c2nc(C3CCCCC3)nc3ccc(Cl)cc23)CC1.
What is the InChIKey of 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde?
The InChIKey is LZIUUSYHRUGKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c21-16-6-7-18-17(14-16)20(25-10-8-24(9-11-25)12-13-26)23-19(22-18)15-4-2-1-3-5-15/h6-7,13-15H,1-5,8-12H2.
What are the key properties of 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde?
2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde has a molecular weight of 372.90 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 87723526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).