(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione

C15H16N4O3 — CID 24964387

IUPAC(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
SMILESCc1nc2cccc(N)c2c(=O)n1[C@]1(C)CCC(=O)NC1=O
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
InChIKeyYBEDEOMQBHQZHU-OAHLLOKOSA-N
MW300.32 g/mol
LogP0.44
Rot. Bonds1

About (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione

(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione (PubChem CID 24964387) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
PubChem CID24964387
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
SMILESCc1nc2cccc(N)c2c(=O)n1[C@]1(C)CCC(=O)NC1=O
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
InChIKeyYBEDEOMQBHQZHU-OAHLLOKOSA-N
XLogP0.44
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione?
The IUPAC name of (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione (CID 24964387) is (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione is Cc1nc2cccc(N)c2c(=O)n1[C@]1(C)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione?
The InChIKey is YBEDEOMQBHQZHU-OAHLLOKOSA-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.
What are the key properties of (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione?
(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione has a molecular weight of 300.32 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 24964387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).