2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one

C22H20N2O3S — CID 9329608

IUPAC2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one
SMILESCCCCn1c(SCC(=O)c2cc3ccccc3o2)nc2ccccc2c1=O
InChIInChI=1S/C22H20N2O3S/c1-2-3-12-24-21(26)16-9-5-6-10-17(16)23-22(24)28-14-18(25)20-13-15-8-4-7-11-19(15)27-20/h4-11,13H,2-3,12,14H2,1H3
InChIKeyFPLWVLKXHBWKOM-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.92
Rot. Bonds7

About 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one

2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one (PubChem CID 9329608) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one
PubChem CID9329608
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one
SMILESCCCCn1c(SCC(=O)c2cc3ccccc3o2)nc2ccccc2c1=O
InChIInChI=1S/C22H20N2O3S/c1-2-3-12-24-21(26)16-9-5-6-10-17(16)23-22(24)28-14-18(25)20-13-15-8-4-7-11-19(15)27-20/h4-11,13H,2-3,12,14H2,1H3
InChIKeyFPLWVLKXHBWKOM-UHFFFAOYSA-N
XLogP4.92
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
CID 7856825
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 3900360
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 2696216
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16534778
6-amino-1-benzyl-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methylpyrimidine-2,4-dione
CID 16534766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one (CID 9329608) is 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one is CCCCn1c(SCC(=O)c2cc3ccccc3o2)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one?
The InChIKey is FPLWVLKXHBWKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-2-3-12-24-21(26)16-9-5-6-10-17(16)23-22(24)28-14-18(25)20-13-15-8-4-7-11-19(15)27-20/h4-11,13H,2-3,12,14H2,1H3.
What are the key properties of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one?
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one has a molecular weight of 392.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one is sourced from PubChem (CID 9329608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).