2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one

C18H12N2OS — CID 168551596

IUPAC2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(-c3cccs3)c2)nc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-18-14-7-1-2-8-15(14)19-17(20-18)13-6-3-5-12(11-13)16-9-4-10-22-16/h1-11H,(H,19,20,21)
InChIKeyVGFRNVICMGAJEE-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.32
Rot. Bonds2

About 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one

2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one (PubChem CID 168551596) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
PubChem CID168551596
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(-c3cccs3)c2)nc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-18-14-7-1-2-8-15(14)19-17(20-18)13-6-3-5-12(11-13)16-9-4-10-22-16/h1-11H,(H,19,20,21)
InChIKeyVGFRNVICMGAJEE-UHFFFAOYSA-N
XLogP4.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
CID 135436359
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
CID 168552454
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one
CID 168551234
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one (CID 168551596) is 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc(-c3cccs3)c2)nc2ccccc12.
What is the InChIKey of 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one?
The InChIKey is VGFRNVICMGAJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-18-14-7-1-2-8-15(14)19-17(20-18)13-6-3-5-12(11-13)16-9-4-10-22-16/h1-11H,(H,19,20,21).
What are the key properties of 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one?
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one has a molecular weight of 304.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).