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

C23H21FN4O4 — CID 66656780

IUPACN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide
SMILESCc1nc2cccc(CNC(=O)c3ccc(CF)cc3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C23H21FN4O4/c1-13-26-17-4-2-3-16(12-25-21(30)15-7-5-14(11-24)6-8-15)20(17)23(32)28(13)18-9-10-19(29)27-22(18)31/h2-8,18H,9-12H2,1H3,(H,25,30)(H,27,29,31)
InChIKeyBYMAAFREHLZWDU-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.08
Rot. Bonds5

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

N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide (PubChem CID 66656780) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide
PubChem CID66656780
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide
SMILESCc1nc2cccc(CNC(=O)c3ccc(CF)cc3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C23H21FN4O4/c1-13-26-17-4-2-3-16(12-25-21(30)15-7-5-14(11-24)6-8-15)20(17)23(32)28(13)18-9-10-19(29)27-22(18)31/h2-8,18H,9-12H2,1H3,(H,25,30)(H,27,29,31)
InChIKeyBYMAAFREHLZWDU-UHFFFAOYSA-N
XLogP2.08
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
CID 24963674
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
CID 129170520
N-[[3-[(6S)-6-hydroxy-2-oxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 162554739
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]urea
CID 24963670
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
[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
[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate
CID 142699709
[(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate
CID 176669639
2-(4-chlorophenyl)-N-[[3-(2,4-dioxocyclohexyl)-2-methyl-4-oxoquinazolin-5-yl]methyl]acetamide
CID 148731223
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide?
The IUPAC name of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide (CID 66656780) is N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide.
What is the SMILES notation for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide?
The canonical SMILES for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide is Cc1nc2cccc(CNC(=O)c3ccc(CF)cc3)c2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide?
The InChIKey is BYMAAFREHLZWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-13-26-17-4-2-3-16(12-25-21(30)15-7-5-14(11-24)6-8-15)20(17)23(32)28(13)18-9-10-19(29)27-22(18)31/h2-8,18H,9-12H2,1H3,(H,25,30)(H,27,29,31).
What are the key properties of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide?
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide has a molecular weight of 436.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide is sourced from PubChem (CID 66656780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).