(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione

C60H64N16O12 — CID 158525132

IUPAC(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione
SMILES[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1C1(C([2H])([2H])[2H])CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1C1(C)CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@@]1(C)CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@]1(C)CCC(=O)NC1=O
InChIInChI=1S/4C15H16N4O3/c4*1-8-17-10-5-3-4-9(16)12(10)13(21)19(8)15(2)7-6-11(20)18-14(15)22/h4*3-5H,6-7,16H2,1-2H3,(H,18,20,22)/t2*15-;;/m10../s1/i2*1D3;1D3,2D3;1D3
InChIKeyHMRSQZPBDMLMHZ-VEALQSJKSA-N
MW1216.36 g/mol
LogP1.76
Rot. Bonds9

About (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione

(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione (PubChem CID 158525132) has the molecular formula C60H64N16O12 and a molecular weight of 1216.36 g/mol. Its IUPAC name is (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione
PubChem CID158525132
Molecular FormulaC60H64N16O12
Molecular Weight1216.36 g/mol
Exact Mass1215.58
IUPAC Name(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione
SMILES[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1C1(C([2H])([2H])[2H])CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1C1(C)CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@@]1(C)CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@]1(C)CCC(=O)NC1=O
InChIInChI=1S/4C15H16N4O3/c4*1-8-17-10-5-3-4-9(16)12(10)13(21)19(8)15(2)7-6-11(20)18-14(15)22/h4*3-5H,6-7,16H2,1-2H3,(H,18,20,22)/t2*15-;;/m10../s1/i2*1D3;1D3,2D3;1D3
InChIKeyHMRSQZPBDMLMHZ-VEALQSJKSA-N
XLogP1.76
TPSA428.32 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.36
LogP ≤ 51.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione (CID 158525132) is (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione is [2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1C1(C([2H])([2H])[2H])CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1C1(C)CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@@]1(C)CCC(=O)NC1=O.[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@]1(C)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione?
The InChIKey is HMRSQZPBDMLMHZ-VEALQSJKSA-N. The full InChI is InChI=1S/4C15H16N4O3/c4*1-8-17-10-5-3-4-9(16)12(10)13(21)19(8)15(2)7-6-11(20)18-14(15)22/h4*3-5H,6-7,16H2,1-2H3,(H,18,20,22)/t2*15-;;/m10../s1/i2*1D3;1D3,2D3;1D3.
What are the key properties of (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione?
(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione has a molecular weight of 1216.36 g/mol, XLogP of 1.76, 9 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione is sourced from PubChem (CID 158525132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).