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

C15H16N4O3 — CID 156677475

IUPAC(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione
SMILES[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@@]1(C([2H])([2H])[2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C15H16N4O3/c1-8-17-10-5-3-4-9(16)12(10)13(21)19(8)15(2)7-6-11(20)18-14(15)22/h3-5H,6-7,16H2,1-2H3,(H,18,20,22)/t15-/m1/s1/i1D3,2D3,6D2,7D2
InChIKeyYBEDEOMQBHQZHU-HJHGKPNNSA-N
MW310.38 g/mol
LogP0.44
Rot. Bonds3

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

(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione (PubChem CID 156677475) has the molecular formula C15H16N4O3 and a molecular weight of 310.38 g/mol. Its IUPAC name is (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione
PubChem CID156677475
Molecular FormulaC15H16N4O3
Molecular Weight310.38 g/mol
Exact Mass310.19
IUPAC Name(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione
SMILES[2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@@]1(C([2H])([2H])[2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C15H16N4O3/c1-8-17-10-5-3-4-9(16)12(10)13(21)19(8)15(2)7-6-11(20)18-14(15)22/h3-5H,6-7,16H2,1-2H3,(H,18,20,22)/t15-/m1/s1/i1D3,2D3,6D2,7D2
InChIKeyYBEDEOMQBHQZHU-HJHGKPNNSA-N
XLogP0.44
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione with MolForge

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Related Compounds

(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
3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione
CID 156677524
(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 24964387
(3R)-3-(5-amino-6,7,8-trideuterio-2-methyl-4-oxoquinazolin-3-yl)-4,4,5,5-tetradeuterio-3-methylpiperidine-2,6-dione
CID 156677514
3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 123711482
3-(5-amino-4-oxo-1,2,3-benzotriazin-3-yl)-3-methylpiperidine-2,6-dione
CID 142748642
4-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,5,5-trideuteriocyclohexane-1,3-dione
CID 159872674
7-amino-2,10,13-triaza-17-borapentacyclo[8.7.0.03,8.011,16.011,17]heptadeca-1,3,5,7-tetraene-9,12,14-trione
CID 144586058
4-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-4,5,5,6,6-pentadeuteriocyclohexane-1,3-dione
CID 148685733
4-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4-deuteriocyclohexane-1,3-dione
CID 148685886
4-[5-amino-6,7,8-trideuterio-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4-methylcyclohexane-1,3-dione
CID 159637511
4-[5-amino-2-(dideuteriomethyl)-4-oxoquinazolin-3-yl]-6-deuteriocyclohexane-1,3-dione
CID 148685894

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione (CID 156677475) is (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione is [2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1[C@@]1(C([2H])([2H])[2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione?
The InChIKey is YBEDEOMQBHQZHU-HJHGKPNNSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-8-17-10-5-3-4-9(16)12(10)13(21)19(8)15(2)7-6-11(20)18-14(15)22/h3-5H,6-7,16H2,1-2H3,(H,18,20,22)/t15-/m1/s1/i1D3,2D3,6D2,7D2.
What are the key properties of (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione?
(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione has a molecular weight of 310.38 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione is sourced from PubChem (CID 156677475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).