6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione

C18H23N3O3 — CID 71956368

IUPAC6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
SMILESCCCn1c(=O)c2cc(C)ccc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C18H23N3O3/c1-3-8-20-17(23)14-11-13(2)6-7-15(14)21(18(20)24)12-16(22)19-9-4-5-10-19/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyAOKOVJLSWOHSCN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.50
Rot. Bonds4

About 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione

6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione (PubChem CID 71956368) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
PubChem CID71956368
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
SMILESCCCn1c(=O)c2cc(C)ccc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C18H23N3O3/c1-3-8-20-17(23)14-11-13(2)6-7-15(14)21(18(20)24)12-16(22)19-9-4-5-10-19/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyAOKOVJLSWOHSCN-UHFFFAOYSA-N
XLogP1.50
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione?
The IUPAC name of 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione (CID 71956368) is 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione.
What is the SMILES notation for 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione?
The canonical SMILES for 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione is CCCn1c(=O)c2cc(C)ccc2n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione?
The InChIKey is AOKOVJLSWOHSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-8-20-17(23)14-11-13(2)6-7-15(14)21(18(20)24)12-16(22)19-9-4-5-10-19/h6-7,11H,3-5,8-10,12H2,1-2H3.
What are the key properties of 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione?
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione is sourced from PubChem (CID 71956368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).