3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione

C17H20N4O3 — CID 134392800

IUPAC3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione
SMILESCc1nc2cccc(N(C)C)c2c(=O)n1C1CCC(=O)N(C)C1=O
InChIInChI=1S/C17H20N4O3/c1-10-18-11-6-5-7-12(19(2)3)15(11)17(24)21(10)13-8-9-14(22)20(4)16(13)23/h5-7,13H,8-9H2,1-4H3
InChIKeyWPTRIWUPSFLUMZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.09
Rot. Bonds2

About 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione

3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione (PubChem CID 134392800) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione
PubChem CID134392800
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione
SMILESCc1nc2cccc(N(C)C)c2c(=O)n1C1CCC(=O)N(C)C1=O
InChIInChI=1S/C17H20N4O3/c1-10-18-11-6-5-7-12(19(2)3)15(11)17(24)21(10)13-8-9-14(22)20(4)16(13)23/h5-7,13H,8-9H2,1-4H3
InChIKeyWPTRIWUPSFLUMZ-UHFFFAOYSA-N
XLogP1.09
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
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 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione (CID 134392800) is 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione is Cc1nc2cccc(N(C)C)c2c(=O)n1C1CCC(=O)N(C)C1=O.
What is the InChIKey of 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione?
The InChIKey is WPTRIWUPSFLUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-18-11-6-5-7-12(19(2)3)15(11)17(24)21(10)13-8-9-14(22)20(4)16(13)23/h5-7,13H,8-9H2,1-4H3.
What are the key properties of 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione?
3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione has a molecular weight of 328.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 134392800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).