1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione

C21H23ClN4O2 — CID 24782170

IUPAC1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
SMILESCN1CCN(c2cc(Cl)cc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)CC1
InChIInChI=1S/C21H23ClN4O2/c1-23-8-10-25(11-9-23)17-12-16(22)13-18-19(17)20(27)24(2)21(28)26(18)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyPJEYODWQRVKJOR-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.15
Rot. Bonds3

About 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione

1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione (PubChem CID 24782170) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
PubChem CID24782170
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
SMILESCN1CCN(c2cc(Cl)cc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)CC1
InChIInChI=1S/C21H23ClN4O2/c1-23-8-10-25(11-9-23)17-12-16(22)13-18-19(17)20(27)24(2)21(28)26(18)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyPJEYODWQRVKJOR-UHFFFAOYSA-N
XLogP2.15
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-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-[(4-methoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
CID 24783442
1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione
CID 24785463
4-benzyl-6-chloro-8-(4-methylpiperazin-1-yl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 24997188
2,4-dibenzyl-6-chloro-8-(4-methylpiperazin-1-yl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one
CID 16742589
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
5-(4-acetylpiperazin-1-yl)-6-amino-1-benzyl-3-methylpyrimidine-2,4-dione
CID 2127971
1-benzyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)indole
CID 139430880
3-[[4-chloro-2-(4-methylpiperazin-1-yl)phenyl]methyl]benzoic acid
CID 70423359
7-benzyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
CID 983156
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione?
The IUPAC name of 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione (CID 24782170) is 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione.
What is the SMILES notation for 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione?
The canonical SMILES for 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione is CN1CCN(c2cc(Cl)cc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione?
The InChIKey is PJEYODWQRVKJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-23-8-10-25(11-9-23)17-12-16(22)13-18-19(17)20(27)24(2)21(28)26(18)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione?
1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione has a molecular weight of 398.89 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione is sourced from PubChem (CID 24782170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).