4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide

C22H19ClN4O4 — CID 24963674

IUPAC4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
SMILESCc1nc2cccc(CNC(=O)c3ccc(Cl)cc3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C22H19ClN4O4/c1-12-25-16-4-2-3-14(11-24-20(29)13-5-7-15(23)8-6-13)19(16)22(31)27(12)17-9-10-18(28)26-21(17)30/h2-8,17H,9-11H2,1H3,(H,24,29)(H,26,28,30)
InChIKeyMXGBNPCIVVEUIA-UHFFFAOYSA-N
MW438.87 g/mol
LogP2.27
Rot. Bonds4

About 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide

4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide (PubChem CID 24963674) has the molecular formula C22H19ClN4O4 and a molecular weight of 438.87 g/mol. Its IUPAC name is 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
PubChem CID24963674
Molecular FormulaC22H19ClN4O4
Molecular Weight438.87 g/mol
Exact Mass438.11
IUPAC Name4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
SMILESCc1nc2cccc(CNC(=O)c3ccc(Cl)cc3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C22H19ClN4O4/c1-12-25-16-4-2-3-14(11-24-20(29)13-5-7-15(23)8-6-13)19(16)22(31)27(12)17-9-10-18(28)26-21(17)30/h2-8,17H,9-11H2,1H3,(H,24,29)(H,26,28,30)
InChIKeyMXGBNPCIVVEUIA-UHFFFAOYSA-N
XLogP2.27
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide
CID 66656780
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]urea
CID 24963670
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
CID 129170520
2-(4-chlorophenyl)-N-[[3-(2,4-dioxocyclohexyl)-2-methyl-4-oxoquinazolin-5-yl]methyl]acetamide
CID 148731223
N-[[3-[(6S)-6-hydroxy-2-oxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 162554739
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
2-(4-chlorophenyl)-N-[[3-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343768
2-(4-chlorophenyl)-N-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343767
[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
N-[[3-(2-hydroxypiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-iodobenzamide
CID 143651514
2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 166818510
[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate
CID 142699709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide (CID 24963674) is 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide is Cc1nc2cccc(CNC(=O)c3ccc(Cl)cc3)c2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide?
The InChIKey is MXGBNPCIVVEUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4/c1-12-25-16-4-2-3-14(11-24-20(29)13-5-7-15(23)8-6-13)19(16)22(31)27(12)17-9-10-18(28)26-21(17)30/h2-8,17H,9-11H2,1H3,(H,24,29)(H,26,28,30).
What are the key properties of 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide?
4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide has a molecular weight of 438.87 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide is sourced from PubChem (CID 24963674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).