[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone

C21H22N4O2S — CID 2578088

IUPAC[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C21H22N4O2S/c26-21(17-7-3-13-27-17)25-11-9-24(10-12-25)20-15-5-1-2-6-16(15)22-19(23-20)18-8-4-14-28-18/h1-2,4-6,8,14,17H,3,7,9-13H2/t17-/m1/s1
InChIKeyYBDRSHWAIFJLEE-QGZVFWFLSA-N
MW394.50 g/mol
LogP3.19
Rot. Bonds3

About [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone

[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone (PubChem CID 2578088) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
PubChem CID2578088
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C21H22N4O2S/c26-21(17-7-3-13-27-17)25-11-9-24(10-12-25)20-15-5-1-2-6-16(15)22-19(23-20)18-8-4-14-28-18/h1-2,4-6,8,14,17H,3,7,9-13H2/t17-/m1/s1
InChIKeyYBDRSHWAIFJLEE-QGZVFWFLSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
CID 49432802
4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
CID 133280074
4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 112814910
N-(2-thiophen-2-ylethyl)-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-4-carboxamide
CID 133277456
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085
[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
CID 9111092
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 26440749
oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 78844521
[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 18129591

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone (CID 2578088) is [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone is O=C([C@H]1CCCO1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is YBDRSHWAIFJLEE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-21(17-7-3-13-27-17)25-11-9-24(10-12-25)20-15-5-1-2-6-16(15)22-19(23-20)18-8-4-14-28-18/h1-2,4-6,8,14,17H,3,7,9-13H2/t17-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone?
[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 394.50 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2578088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).