ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate

C19H23N3O3S — CID 7145614

IUPACethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CSc2nc(C)nc3ccccc23)CC1
InChIInChI=1S/C19H23N3O3S/c1-3-25-19(24)14-8-10-22(11-9-14)17(23)12-26-18-15-6-4-5-7-16(15)20-13(2)21-18/h4-7,14H,3,8-12H2,1-2H3
InChIKeyPAPBZQCHYUMNTR-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.83
Rot. Bonds5

About ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate

ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate (PubChem CID 7145614) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate
PubChem CID7145614
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nameethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CSc2nc(C)nc3ccccc23)CC1
InChIInChI=1S/C19H23N3O3S/c1-3-25-19(24)14-8-10-22(11-9-14)17(23)12-26-18-15-6-4-5-7-16(15)20-13(2)21-18/h4-7,14H,3,8-12H2,1-2H3
InChIKeyPAPBZQCHYUMNTR-UHFFFAOYSA-N
XLogP2.83
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate 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

ethyl 1-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 5221721
ethyl 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetyl]piperidine-4-carboxylate
CID 18100440
ethyl 1-[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 55752282
ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate
CID 20921636
ethyl 1-[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55306358
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
[2-(2,5-dimethylphenyl)-2-oxoethyl] 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylate
CID 4881905
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
2-(2-benzylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 3221470
ethyl 1-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperidine-4-carboxylate
CID 51072373
ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 23914220
ethyl 1-[2-(1-hydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7891146

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate (CID 7145614) is ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CSc2nc(C)nc3ccccc23)CC1.
What is the InChIKey of ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate?
The InChIKey is PAPBZQCHYUMNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-25-19(24)14-8-10-22(11-9-14)17(23)12-26-18-15-6-4-5-7-16(15)20-13(2)21-18/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 7145614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).