1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione

C27H27ClN4O2 — CID 24785463

IUPAC1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione
SMILESO=c1c2c(N3CCNCC3)cc(Cl)cc2n(Cc2ccccc2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C27H27ClN4O2/c28-22-17-23(30-15-12-29-13-16-30)25-24(18-22)32(19-21-9-5-2-6-10-21)27(34)31(26(25)33)14-11-20-7-3-1-4-8-20/h1-10,17-18,29H,11-16,19H2
InChIKeyWRTPUQNBGCJDJF-UHFFFAOYSA-N
MW474.99 g/mol
LogP3.52
Rot. Bonds6

About 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione

1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione (PubChem CID 24785463) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione
PubChem CID24785463
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC Name1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione
SMILESO=c1c2c(N3CCNCC3)cc(Cl)cc2n(Cc2ccccc2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C27H27ClN4O2/c28-22-17-23(30-15-12-29-13-16-30)25-24(18-22)32(19-21-9-5-2-6-10-21)27(34)31(26(25)33)14-11-20-7-3-1-4-8-20/h1-10,17-18,29H,11-16,19H2
InChIKeyWRTPUQNBGCJDJF-UHFFFAOYSA-N
XLogP3.52
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione with MolForge

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Related Compounds

1-benzyl-7-chloro-3-[(4-hydroxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
CID 24783445
1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
CID 24782170
1-benzyl-7-chloro-3-[(4-methoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
CID 24783442
1-benzyl-5-chloro-3-[(3-iodophenyl)methyl]-7-piperazin-1-ylquinazoline-2,4-dione
CID 24784970
1-benzyl-7-chloro-3-[(5-methylfuran-2-yl)methyl]-5-(1-methylpiperazin-2-yl)quinazoline-2,4-dione
CID 68963452
3-benzyl-7-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione
CID 10113521
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one
CID 91206212
6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one
CID 87757220
7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one
CID 142839254
4-[[7-chloro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-phenylmethoxybenzamide
CID 153408409
2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile
CID 23070780

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione?
The IUPAC name of 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione (CID 24785463) is 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione.
What is the SMILES notation for 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione?
The canonical SMILES for 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione is O=c1c2c(N3CCNCC3)cc(Cl)cc2n(Cc2ccccc2)c(=O)n1CCc1ccccc1.
What is the InChIKey of 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione?
The InChIKey is WRTPUQNBGCJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c28-22-17-23(30-15-12-29-13-16-30)25-24(18-22)32(19-21-9-5-2-6-10-21)27(34)31(26(25)33)14-11-20-7-3-1-4-8-20/h1-10,17-18,29H,11-16,19H2.
What are the key properties of 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione?
1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione has a molecular weight of 474.99 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione is sourced from PubChem (CID 24785463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).