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

C22H23N3O4 — CID 71956372

IUPAC3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)N3CCCC3)c2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-15-5-10-19-18(13-15)21(27)25(16-6-8-17(29-2)9-7-16)22(28)24(19)14-20(26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyJNLOVDLUROVYHS-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.09
Rot. Bonds4

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

3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione (PubChem CID 71956372) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
PubChem CID71956372
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)N3CCCC3)c2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-15-5-10-19-18(13-15)21(27)25(16-6-8-17(29-2)9-7-16)22(28)24(19)14-20(26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyJNLOVDLUROVYHS-UHFFFAOYSA-N
XLogP2.09
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
CID 71957572
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
CID 71956368
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione
CID 71956020
1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione
CID 165075305
N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71956343
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
CID 100742188
2-[3-(2-chlorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 71956406
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
CID 50830024
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
3-[4-[2-(azepan-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 50762535
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
CID 71959512

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione?
The IUPAC name of 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione (CID 71956372) is 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione is COc1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)N3CCCC3)c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione?
The InChIKey is JNLOVDLUROVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-5-10-19-18(13-15)21(27)25(16-6-8-17(29-2)9-7-16)22(28)24(19)14-20(26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione?
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione has a molecular weight of 393.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 71956372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).