6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one

C15H8BrN3OS — CID 146308864

IUPAC6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(Br)cc12
InChIInChI=1S/C15H8BrN3OS/c16-9-1-2-11-10(6-9)15(20)19-14(18-11)12-5-8-3-4-21-13(8)7-17-12/h1-7H,(H,18,19,20)
InChIKeyGJJJCQHICDGAPJ-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.96
Rot. Bonds1

About 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one

6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (PubChem CID 146308864) has the molecular formula C15H8BrN3OS and a molecular weight of 358.22 g/mol. Its IUPAC name is 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
PubChem CID146308864
Molecular FormulaC15H8BrN3OS
Molecular Weight358.22 g/mol
Exact Mass356.96
IUPAC Name6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(Br)cc12
InChIInChI=1S/C15H8BrN3OS/c16-9-1-2-11-10(6-9)15(20)19-14(18-11)12-5-8-3-4-21-13(8)7-17-12/h1-7H,(H,18,19,20)
InChIKeyGJJJCQHICDGAPJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146333407
6-[3-(4-methylsulfanylphenyl)propoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146333535
tert-butyl 4-(4-oxo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-6-yl)piperidine-1-carboxylate
CID 146308956
7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one
CID 136999264
8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308952
8-cyclopropyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308993
6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
CID 135436359
5-bromo-1-benzothiophene
CID 2776578
2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)pyridine-4-carboxylic acid
CID 137049153
6-bromo-2-(3,3-dimethylbutan-2-ylamino)-3H-quinazolin-4-one
CID 135439543
3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid
CID 164990274
2-isoquinolin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 164706550

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The IUPAC name of 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (CID 146308864) is 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The InChIKey is GJJJCQHICDGAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3OS/c16-9-1-2-11-10(6-9)15(20)19-14(18-11)12-5-8-3-4-21-13(8)7-17-12/h1-7H,(H,18,19,20).
What are the key properties of 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one has a molecular weight of 358.22 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).