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

C23H19F3N4O5 — CID 25235825

IUPACN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc2ccc(CNC(=O)c3ccc(OC(F)(F)F)cc3)cc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C23H19F3N4O5/c1-12-28-17-7-2-13(10-16(17)22(34)30(12)18-8-9-19(31)29-21(18)33)11-27-20(32)14-3-5-15(6-4-14)35-23(24,25)26/h2-7,10,18H,8-9,11H2,1H3,(H,27,32)(H,29,31,33)
InChIKeyHWFZGHPLMTXECG-UHFFFAOYSA-N
MW488.42 g/mol
LogP2.51
Rot. Bonds5

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

N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 25235825) has the molecular formula C23H19F3N4O5 and a molecular weight of 488.42 g/mol. Its IUPAC name is N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID25235825
Molecular FormulaC23H19F3N4O5
Molecular Weight488.42 g/mol
Exact Mass488.13
IUPAC NameN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc2ccc(CNC(=O)c3ccc(OC(F)(F)F)cc3)cc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C23H19F3N4O5/c1-12-28-17-7-2-13(10-16(17)22(34)30(12)18-8-9-19(31)29-21(18)33)11-27-20(32)14-3-5-15(6-4-14)35-23(24,25)26/h2-7,10,18H,8-9,11H2,1H3,(H,27,32)(H,29,31,33)
InChIKeyHWFZGHPLMTXECG-UHFFFAOYSA-N
XLogP2.51
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 52.51
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-6-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 25235825) is N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide is Cc1nc2ccc(CNC(=O)c3ccc(OC(F)(F)F)cc3)cc2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is HWFZGHPLMTXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O5/c1-12-28-17-7-2-13(10-16(17)22(34)30(12)18-8-9-19(31)29-21(18)33)11-27-20(32)14-3-5-15(6-4-14)35-23(24,25)26/h2-7,10,18H,8-9,11H2,1H3,(H,27,32)(H,29,31,33).
What are the key properties of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 488.42 g/mol, XLogP of 2.51, 5 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-6-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 25235825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).