4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde

C20H20N4O — CID 776450

IUPAC4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
SMILESCc1ccc2nc(N3CCN(C=O)CC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H20N4O/c1-15-7-8-18-17(13-15)19(16-5-3-2-4-6-16)22-20(21-18)24-11-9-23(14-25)10-12-24/h2-8,13-14H,9-12H2,1H3
InChIKeyMPBDJZHWZQFXAO-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.88
Rot. Bonds3

About 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde

4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde (PubChem CID 776450) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
PubChem CID776450
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
SMILESCc1ccc2nc(N3CCN(C=O)CC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H20N4O/c1-15-7-8-18-17(13-15)19(16-5-3-2-4-6-16)22-20(21-18)24-11-9-23(14-25)10-12-24/h2-8,13-14H,9-12H2,1H3
InChIKeyMPBDJZHWZQFXAO-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde (CID 776450) is 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde is Cc1ccc2nc(N3CCN(C=O)CC3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde?
The InChIKey is MPBDJZHWZQFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-7-8-18-17(13-15)19(16-5-3-2-4-6-16)22-20(21-18)24-11-9-23(14-25)10-12-24/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde?
4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde has a molecular weight of 332.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 776450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).