3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one

C23H27N3O3S — CID 92589253

IUPAC3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)c2cc(C)c(C)s2)CC1
InChIInChI=1S/C23H27N3O3S/c1-4-20-24-18-8-6-5-7-17(18)21(27)26(20)14-23(29)9-11-25(12-10-23)22(28)19-13-15(2)16(3)30-19/h5-8,13,29H,4,9-12,14H2,1-3H3
InChIKeyQZSCUTSSPPLVKA-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.30
Rot. Bonds4

About 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one

3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one (PubChem CID 92589253) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one
PubChem CID92589253
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)c2cc(C)c(C)s2)CC1
InChIInChI=1S/C23H27N3O3S/c1-4-20-24-18-8-6-5-7-17(18)21(27)26(20)14-23(29)9-11-25(12-10-23)22(28)19-13-15(2)16(3)30-19/h5-8,13,29H,4,9-12,14H2,1-3H3
InChIKeyQZSCUTSSPPLVKA-UHFFFAOYSA-N
XLogP3.30
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one 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

2-ethyl-3-[[4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 110221557
2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 92589264
2-ethyl-3-[[4-hydroxy-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 92589259
(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706841
2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 92552853
2-ethyl-3-pentylquinazolin-4-one
CID 529110
1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one
CID 60656667
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 120805049
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one?
The IUPAC name of 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one (CID 92589253) is 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one.
What is the SMILES notation for 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one?
The canonical SMILES for 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one is CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)c2cc(C)c(C)s2)CC1.
What is the InChIKey of 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one?
The InChIKey is QZSCUTSSPPLVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-4-20-24-18-8-6-5-7-17(18)21(27)26(20)14-23(29)9-11-25(12-10-23)22(28)19-13-15(2)16(3)30-19/h5-8,13,29H,4,9-12,14H2,1-3H3.
What are the key properties of 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one?
3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one has a molecular weight of 425.55 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one is sourced from PubChem (CID 92589253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).