3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione

C23H24ClN3O3 — CID 46135438

IUPAC3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione
SMILESCCC(C(=O)N1CCCC1)n1c(=O)n(-c2ccc(C)c(Cl)c2)c(=O)c2ccccc21
InChIInChI=1S/C23H24ClN3O3/c1-3-19(22(29)25-12-6-7-13-25)27-20-9-5-4-8-17(20)21(28)26(23(27)30)16-11-10-15(2)18(24)14-16/h4-5,8-11,14,19H,3,6-7,12-13H2,1-2H3
InChIKeyDRZVMHQLCJSSIF-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.69
Rot. Bonds4

About 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione

3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione (PubChem CID 46135438) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione
PubChem CID46135438
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione
SMILESCCC(C(=O)N1CCCC1)n1c(=O)n(-c2ccc(C)c(Cl)c2)c(=O)c2ccccc21
InChIInChI=1S/C23H24ClN3O3/c1-3-19(22(29)25-12-6-7-13-25)27-20-9-5-4-8-17(20)21(28)26(23(27)30)16-11-10-15(2)18(24)14-16/h4-5,8-11,14,19H,3,6-7,12-13H2,1-2H3
InChIKeyDRZVMHQLCJSSIF-UHFFFAOYSA-N
XLogP3.69
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione (CID 46135438) is 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione is CCC(C(=O)N1CCCC1)n1c(=O)n(-c2ccc(C)c(Cl)c2)c(=O)c2ccccc21.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione?
The InChIKey is DRZVMHQLCJSSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-3-19(22(29)25-12-6-7-13-25)27-20-9-5-4-8-17(20)21(28)26(23(27)30)16-11-10-15(2)18(24)14-16/h4-5,8-11,14,19H,3,6-7,12-13H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione?
3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione has a molecular weight of 425.92 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)quinazoline-2,4-dione is sourced from PubChem (CID 46135438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).