2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one

C17H14N2OS — CID 135514004

IUPAC2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(SC/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H14N2OS/c20-16-14-10-4-5-11-15(14)18-17(19-16)21-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,18,19,20)/b9-6+
InChIKeyDWZKLKNERJTVIU-RMKNXTFCSA-N
MW294.38 g/mol
LogP3.73
Rot. Bonds4

About 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one

2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one (PubChem CID 135514004) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one
PubChem CID135514004
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(SC/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H14N2OS/c20-16-14-10-4-5-11-15(14)18-17(19-16)21-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,18,19,20)/b9-6+
InChIKeyDWZKLKNERJTVIU-RMKNXTFCSA-N
XLogP3.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-4H-1,2,4-triazin-5-one
CID 135449345
4-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-pyrimidin-6-one
CID 135495034
6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole
CID 5074084
2-[(4-phenylphenyl)methylsulfanyl]-3H-quinazolin-4-one
CID 162676807
N-(benzylideneamino)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135439186
2-hexylsulfanyl-3H-quinazolin-4-one
CID 135492059
2-heptylsulfanyl-3H-quinazolin-4-one
CID 135464963
2-(2-naphthalen-1-yloxyethylsulfanyl)-3H-quinazolin-4-one
CID 135460544
N-benzyl-2-[6-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-4-yl]acetamide
CID 136616823
2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-3-phenylprop-2-enal
CID 135444209
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135415502
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-3H-quinazolin-4-one
CID 135449239

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one (CID 135514004) is 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one is O=c1[nH]c(SC/C=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one?
The InChIKey is DWZKLKNERJTVIU-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-16-14-10-4-5-11-15(14)18-17(19-16)21-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,18,19,20)/b9-6+.
What are the key properties of 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one?
2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one has a molecular weight of 294.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135514004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).