N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C24H21F3N4O5 — CID 24963328

IUPACN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1nc2cccc(CNC(=O)Cc3ccc(OC(F)(F)F)cc3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C24H21F3N4O5/c1-13-29-17-4-2-3-15(21(17)23(35)31(13)18-9-10-19(32)30-22(18)34)12-28-20(33)11-14-5-7-16(8-6-14)36-24(25,26)27/h2-8,18H,9-12H2,1H3,(H,28,33)(H,30,32,34)
InChIKeyMWBURZKSRBZOJY-UHFFFAOYSA-N
MW502.45 g/mol
LogP2.44
Rot. Bonds6

About N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 24963328) has the molecular formula C24H21F3N4O5 and a molecular weight of 502.45 g/mol. Its IUPAC name is N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID24963328
Molecular FormulaC24H21F3N4O5
Molecular Weight502.45 g/mol
Exact Mass502.15
IUPAC NameN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1nc2cccc(CNC(=O)Cc3ccc(OC(F)(F)F)cc3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C24H21F3N4O5/c1-13-29-17-4-2-3-15(21(17)23(35)31(13)18-9-10-19(32)30-22(18)34)12-28-20(33)11-14-5-7-16(8-6-14)36-24(25,26)27/h2-8,18H,9-12H2,1H3,(H,28,33)(H,30,32,34)
InChIKeyMWBURZKSRBZOJY-UHFFFAOYSA-N
XLogP2.44
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 24963328) is N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is Cc1nc2cccc(CNC(=O)Cc3ccc(OC(F)(F)F)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]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is MWBURZKSRBZOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O5/c1-13-29-17-4-2-3-15(21(17)23(35)31(13)18-9-10-19(32)30-22(18)34)12-28-20(33)11-14-5-7-16(8-6-14)36-24(25,26)27/h2-8,18H,9-12H2,1H3,(H,28,33)(H,30,32,34).
What are the key properties of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 502.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 24963328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).