6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one

C12H7IN2OS — CID 135436359

IUPAC6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccs2)nc2ccc(I)cc12
InChIInChI=1S/C12H7IN2OS/c13-7-3-4-9-8(6-7)12(16)15-11(14-9)10-2-1-5-17-10/h1-6H,(H,14,15,16)
InChIKeyVQDBFGLSECPQLC-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.26
Rot. Bonds1

About 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one

6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one (PubChem CID 135436359) has the molecular formula C12H7IN2OS and a molecular weight of 354.17 g/mol. Its IUPAC name is 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
PubChem CID135436359
Molecular FormulaC12H7IN2OS
Molecular Weight354.17 g/mol
Exact Mass353.93
IUPAC Name6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccs2)nc2ccc(I)cc12
InChIInChI=1S/C12H7IN2OS/c13-7-3-4-9-8(6-7)12(16)15-11(14-9)10-2-1-5-17-10/h1-6H,(H,14,15,16)
InChIKeyVQDBFGLSECPQLC-UHFFFAOYSA-N
XLogP3.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 1016749
2-(2-amino-4-oxothiophen-3-yl)-6-iodo-3H-quinazolin-4-one
CID 137235374
6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one
CID 154805156
2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole
CID 4138578
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
[2-(6-iodo-4-oxo-3H-quinazolin-2-yl)phenyl] methyl hydrogen phosphate
CID 135978113
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 135970682
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146333407
2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137189870

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one?
The IUPAC name of 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one (CID 135436359) is 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2cccs2)nc2ccc(I)cc12.
What is the InChIKey of 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one?
The InChIKey is VQDBFGLSECPQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN2OS/c13-7-3-4-9-8(6-7)12(16)15-11(14-9)10-2-1-5-17-10/h1-6H,(H,14,15,16).
What are the key properties of 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one?
6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one has a molecular weight of 354.17 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135436359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).