4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde

C20H22N4O2 — CID 16566970

IUPAC4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
SMILESCc1ccc(C2CC(=O)c3cnc(N4CCN(C=O)CC4)nc3C2)cc1
InChIInChI=1S/C20H22N4O2/c1-14-2-4-15(5-3-14)16-10-18-17(19(26)11-16)12-21-20(22-18)24-8-6-23(13-25)7-9-24/h2-5,12-13,16H,6-11H2,1H3
InChIKeyZDARVECZRBELQB-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.98
Rot. Bonds3

About 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde

4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde (PubChem CID 16566970) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
PubChem CID16566970
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
SMILESCc1ccc(C2CC(=O)c3cnc(N4CCN(C=O)CC4)nc3C2)cc1
InChIInChI=1S/C20H22N4O2/c1-14-2-4-15(5-3-14)16-10-18-17(19(26)11-16)12-21-20(22-18)24-8-6-23(13-25)7-9-24/h2-5,12-13,16H,6-11H2,1H3
InChIKeyZDARVECZRBELQB-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386657
(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 99721337
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579
2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 155753361
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 664565
(7S)-2-(4-ethylpiperazin-4-ium-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2035840
(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629651
(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629706
(7R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 98216835
(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 28629708
(7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7445324
2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3987266

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde (CID 16566970) is 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde is Cc1ccc(C2CC(=O)c3cnc(N4CCN(C=O)CC4)nc3C2)cc1.
What is the InChIKey of 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?
The InChIKey is ZDARVECZRBELQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-2-4-15(5-3-14)16-10-18-17(19(26)11-16)12-21-20(22-18)24-8-6-23(13-25)7-9-24/h2-5,12-13,16H,6-11H2,1H3.
What are the key properties of 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?
4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 350.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 16566970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).