1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone

C16H19N3OS — CID 2378987

IUPAC1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESCC1CCN(C(=O)CSc2ncnc3ccccc23)CC1
InChIInChI=1S/C16H19N3OS/c1-12-6-8-19(9-7-12)15(20)10-21-16-13-4-2-3-5-14(13)17-11-18-16/h2-5,11-12H,6-10H2,1H3
InChIKeyJORQNWAUYCJNRV-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone

1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone (PubChem CID 2378987) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone
PubChem CID2378987
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESCC1CCN(C(=O)CSc2ncnc3ccccc23)CC1
InChIInChI=1S/C16H19N3OS/c1-12-6-8-19(9-7-12)15(20)10-21-16-13-4-2-3-5-14(13)17-11-18-16/h2-5,11-12H,6-10H2,1H3
InChIKeyJORQNWAUYCJNRV-UHFFFAOYSA-N
XLogP2.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone 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-(2-benzylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 3221470
1-(4-methylpiperidin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 1173306
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 17423624
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2652588
2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8520648
1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913
1-[(2S)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403911
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 4786666
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 1445395
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2370472
[2-(2,5-dimethylphenyl)-2-oxoethyl] 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylate
CID 4881905
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 43238172

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone (CID 2378987) is 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone is CC1CCN(C(=O)CSc2ncnc3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone?
The InChIKey is JORQNWAUYCJNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-6-8-19(9-7-12)15(20)10-21-16-13-4-2-3-5-14(13)17-11-18-16/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone?
1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone has a molecular weight of 301.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone is sourced from PubChem (CID 2378987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).