3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one

C13H10N2OS — CID 104788101

IUPAC3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one
SMILESO=C1C=C(Sc2ncnc3ccccc23)CC1
InChIInChI=1S/C13H10N2OS/c16-9-5-6-10(7-9)17-13-11-3-1-2-4-12(11)14-8-15-13/h1-4,7-8H,5-6H2
InChIKeyWSQSTNPEZSVMDB-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.97
Rot. Bonds2

About 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one

3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one (PubChem CID 104788101) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one
PubChem CID104788101
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one
SMILESO=C1C=C(Sc2ncnc3ccccc23)CC1
InChIInChI=1S/C13H10N2OS/c16-9-5-6-10(7-9)17-13-11-3-1-2-4-12(11)14-8-15-13/h1-4,7-8H,5-6H2
InChIKeyWSQSTNPEZSVMDB-UHFFFAOYSA-N
XLogP2.97
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-quinazolin-4-ylsulfanyl-1H-pyrimidin-6-one
CID 114791119
2-quinazolin-4-ylsulfanylphenol
CID 62026320
2-quinazolin-4-ylsulfanylpyrimidine-5-carbaldehyde
CID 113388624
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
CID 164611705
3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid
CID 62700957
4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde
CID 80640178
4-cyclopentylsulfanylquinazoline
CID 7160394
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
CID 115490289

Frequently Asked Questions

What is the IUPAC name of 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one?
The IUPAC name of 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one (CID 104788101) is 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one.
What is the SMILES notation for 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one?
The canonical SMILES for 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one is O=C1C=C(Sc2ncnc3ccccc23)CC1.
What is the InChIKey of 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one?
The InChIKey is WSQSTNPEZSVMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-9-5-6-10(7-9)17-13-11-3-1-2-4-12(11)14-8-15-13/h1-4,7-8H,5-6H2.
What are the key properties of 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one?
3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one has a molecular weight of 242.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one is sourced from PubChem (CID 104788101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).