2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one

C23H24N4O — CID 71487361

IUPAC2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCc1ccc(N2CCN(Cc3cc4[nH]c(=O)c5ccccc5n4c3)CC2)cc1
InChIInChI=1S/C23H24N4O/c1-17-6-8-19(9-7-17)26-12-10-25(11-13-26)15-18-14-22-24-23(28)20-4-2-3-5-21(20)27(22)16-18/h2-9,14,16H,10-13,15H2,1H3,(H,24,28)
InChIKeyMOQXVCWWKNEHDW-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.41
Rot. Bonds3

About 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one

2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 71487361) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID71487361
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCc1ccc(N2CCN(Cc3cc4[nH]c(=O)c5ccccc5n4c3)CC2)cc1
InChIInChI=1S/C23H24N4O/c1-17-6-8-19(9-7-17)26-12-10-25(11-13-26)15-18-14-22-24-23(28)20-4-2-3-5-21(20)27(22)16-18/h2-9,14,16H,10-13,15H2,1H3,(H,24,28)
InChIKeyMOQXVCWWKNEHDW-UHFFFAOYSA-N
XLogP3.41
TPSA43.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231649
2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231674
2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231666
4-[(4-fluorophenyl)methyl]piperazine-1-carbaldehyde;2-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 144508082
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 135126748
1-(4-methylphenyl)-4-(1H-pyrrol-3-ylmethyl)piperazine
CID 19958485
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844
2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231715
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67373850
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 71487361) is 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is Cc1ccc(N2CCN(Cc3cc4[nH]c(=O)c5ccccc5n4c3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is MOQXVCWWKNEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-6-8-19(9-7-17)26-12-10-25(11-13-26)15-18-14-22-24-23(28)20-4-2-3-5-21(20)27(22)16-18/h2-9,14,16H,10-13,15H2,1H3,(H,24,28).
What are the key properties of 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 372.47 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 71487361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).