1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one

C18H15N3O2S2 — CID 7606641

IUPAC1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H15N3O2S2/c22-15-8-3-9-21(15)16(23)11-25-18-12-5-1-2-6-13(12)19-17(20-18)14-7-4-10-24-14/h1-2,4-7,10H,3,8-9,11H2
InChIKeyALUPSAZQCFZVTQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one

1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one (PubChem CID 7606641) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one
PubChem CID7606641
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H15N3O2S2/c22-15-8-3-9-21(15)16(23)11-25-18-12-5-1-2-6-13(12)19-17(20-18)14-7-4-10-24-14/h1-2,4-7,10H,3,8-9,11H2
InChIKeyALUPSAZQCFZVTQ-UHFFFAOYSA-N
XLogP3.60
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 4786666
4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline
CID 166179640
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 16507524
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606818
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327
1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 2592860
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2632456
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7888344

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one (CID 7606641) is 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CSc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is ALUPSAZQCFZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-15-8-3-9-21(15)16(23)11-25-18-12-5-1-2-6-13(12)19-17(20-18)14-7-4-10-24-14/h1-2,4-7,10H,3,8-9,11H2.
What are the key properties of 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one?
1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 7606641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).