3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one

C17H14N2OS — CID 79343627

IUPAC3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1CSc2ccccc21
InChIInChI=1S/C17H14N2OS/c20-17-14-6-1-3-7-15(14)18-11-19(17)9-12-10-21-16-8-4-2-5-13(12)16/h1-8,11-12H,9-10H2
InChIKeyQSABKQVAGNTVAZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.29
Rot. Bonds2

About 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one

3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one (PubChem CID 79343627) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one
PubChem CID79343627
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1CSc2ccccc21
InChIInChI=1S/C17H14N2OS/c20-17-14-6-1-3-7-15(14)18-11-19(17)9-12-10-21-16-8-4-2-5-13(12)16/h1-8,11-12H,9-10H2
InChIKeyQSABKQVAGNTVAZ-UHFFFAOYSA-N
XLogP3.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-iodopyrimidin-4-one
CID 114583850
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
3-[[(1R)-2,2-dichlorocyclopropyl]methyl]quinazolin-4-one
CID 9138172
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513812
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-prop-2-ynylquinazolin-4-one
CID 603496
[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46824614
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one (CID 79343627) is 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one is O=c1c2ccccc2ncn1CC1CSc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one?
The InChIKey is QSABKQVAGNTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17-14-6-1-3-7-15(14)18-11-19(17)9-12-10-21-16-8-4-2-5-13(12)16/h1-8,11-12H,9-10H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one?
3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one has a molecular weight of 294.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 79343627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).