3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione

C21H27N3O3 — CID 174121349

IUPAC3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione
SMILESCc1cc2nc(C)n(C3(C)CCC(=O)N(C)C3=O)c(=O)c2cc1CC(C)C
InChIInChI=1S/C21H27N3O3/c1-12(2)9-15-11-16-17(10-13(15)3)22-14(4)24(19(16)26)21(5)8-7-18(25)23(6)20(21)27/h10-12H,7-9H2,1-6H3
InChIKeyBWITUYKKEGDBRB-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.71
Rot. Bonds3

About 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione

3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione (PubChem CID 174121349) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione
PubChem CID174121349
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione
SMILESCc1cc2nc(C)n(C3(C)CCC(=O)N(C)C3=O)c(=O)c2cc1CC(C)C
InChIInChI=1S/C21H27N3O3/c1-12(2)9-15-11-16-17(10-13(15)3)22-14(4)24(19(16)26)21(5)8-7-18(25)23(6)20(21)27/h10-12H,7-9H2,1-6H3
InChIKeyBWITUYKKEGDBRB-UHFFFAOYSA-N
XLogP2.71
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione?
The IUPAC name of 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione (CID 174121349) is 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione?
The canonical SMILES for 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione is Cc1cc2nc(C)n(C3(C)CCC(=O)N(C)C3=O)c(=O)c2cc1CC(C)C.
What is the InChIKey of 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione?
The InChIKey is BWITUYKKEGDBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-12(2)9-15-11-16-17(10-13(15)3)22-14(4)24(19(16)26)21(5)8-7-18(25)23(6)20(21)27/h10-12H,7-9H2,1-6H3.
What are the key properties of 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione?
3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione has a molecular weight of 369.47 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 174121349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).