N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide

C23H21F3N4O4 — CID 163659696

IUPACN-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCC1=Nc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3)c2C(O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C23H21F3N4O4/c1-12-28-16-4-2-3-14(11-27-20(32)13-5-7-15(8-6-13)23(24,25)26)19(16)22(34)30(12)17-9-10-18(31)29-21(17)33/h2-8,17,22,34H,9-11H2,1H3,(H,27,32)(H,29,31,33)
InChIKeyITICHCWFNBAEMU-UHFFFAOYSA-N
MW474.44 g/mol
LogP2.80
Rot. Bonds4

About N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide

N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 163659696) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID163659696
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC NameN-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCC1=Nc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3)c2C(O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C23H21F3N4O4/c1-12-28-16-4-2-3-14(11-27-20(32)13-5-7-15(8-6-13)23(24,25)26)19(16)22(34)30(12)17-9-10-18(31)29-21(17)33/h2-8,17,22,34H,9-11H2,1H3,(H,27,32)(H,29,31,33)
InChIKeyITICHCWFNBAEMU-UHFFFAOYSA-N
XLogP2.80
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide (CID 163659696) is N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide is CC1=Nc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3)c2C(O)N1C1CCC(=O)NC1=O.
What is the InChIKey of N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ITICHCWFNBAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-12-28-16-4-2-3-14(11-27-20(32)13-5-7-15(8-6-13)23(24,25)26)19(16)22(34)30(12)17-9-10-18(31)29-21(17)33/h2-8,17,22,34H,9-11H2,1H3,(H,27,32)(H,29,31,33).
What are the key properties of N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 474.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 163659696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).