3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C24H27N3O3 — CID 15995715

IUPAC3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCCc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCC(C)CC3)c2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-3-18-8-10-19(11-9-18)27-23(29)20-6-4-5-7-21(20)26(24(27)30)16-22(28)25-14-12-17(2)13-15-25/h4-11,17H,3,12-16H2,1-2H3
InChIKeyYMTLAHQCNHRUGI-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 15995715) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID15995715
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCCc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCC(C)CC3)c2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-3-18-8-10-19(11-9-18)27-23(29)20-6-4-5-7-21(20)26(24(27)30)16-22(28)25-14-12-17(2)13-15-25/h4-11,17H,3,12-16H2,1-2H3
InChIKeyYMTLAHQCNHRUGI-UHFFFAOYSA-N
XLogP2.97
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-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

Related Compounds

3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 42811335
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 7450521
3-[4-[2-(azepan-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 50762535
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
CID 51046744
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94512675
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 9490062
3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 22429437
1-ethyl-3-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 32772139
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
CID 46861002
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 30844892

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 15995715) is 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is CCc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCC(C)CC3)c2=O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is YMTLAHQCNHRUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-18-8-10-19(11-9-18)27-23(29)20-6-4-5-7-21(20)26(24(27)30)16-22(28)25-14-12-17(2)13-15-25/h4-11,17H,3,12-16H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 405.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 15995715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).