3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione

C23H23N3O5 — CID 71957572

IUPAC3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
SMILESCC(=O)c1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)N3CCOCC3)c2=O)cc1
InChIInChI=1S/C23H23N3O5/c1-15-3-8-20-19(13-15)22(29)26(18-6-4-17(5-7-18)16(2)27)23(30)25(20)14-21(28)24-9-11-31-12-10-24/h3-8,13H,9-12,14H2,1-2H3
InChIKeyXZUVZHWGLPESKE-UHFFFAOYSA-N
MW421.45 g/mol
LogP1.52
Rot. Bonds4

About 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione

3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione (PubChem CID 71957572) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
PubChem CID71957572
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
SMILESCC(=O)c1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)N3CCOCC3)c2=O)cc1
InChIInChI=1S/C23H23N3O5/c1-15-3-8-20-19(13-15)22(29)26(18-6-4-17(5-7-18)16(2)27)23(30)25(20)14-21(28)24-9-11-31-12-10-24/h3-8,13H,9-12,14H2,1-2H3
InChIKeyXZUVZHWGLPESKE-UHFFFAOYSA-N
XLogP1.52
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione?
The IUPAC name of 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione (CID 71957572) is 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione?
The canonical SMILES for 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione is CC(=O)c1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)N3CCOCC3)c2=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione?
The InChIKey is XZUVZHWGLPESKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-15-3-8-20-19(13-15)22(29)26(18-6-4-17(5-7-18)16(2)27)23(30)25(20)14-21(28)24-9-11-31-12-10-24/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione?
3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione has a molecular weight of 421.45 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione is sourced from PubChem (CID 71957572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).