6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one

C13H8BrClN2OS — CID 47112822

IUPAC6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)s1
InChIInChI=1S/C13H8BrClN2OS/c14-8-1-3-11-10(5-8)13(18)17(7-16-11)6-9-2-4-12(15)19-9/h1-5,7H,6H2
InChIKeyBSFZDOWVCRWNKF-UHFFFAOYSA-N
MW355.64 g/mol
LogP3.92
Rot. Bonds2

About 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one

6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one (PubChem CID 47112822) has the molecular formula C13H8BrClN2OS and a molecular weight of 355.64 g/mol. Its IUPAC name is 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one
PubChem CID47112822
Molecular FormulaC13H8BrClN2OS
Molecular Weight355.64 g/mol
Exact Mass353.92
IUPAC Name6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)s1
InChIInChI=1S/C13H8BrClN2OS/c14-8-1-3-11-10(5-8)13(18)17(7-16-11)6-9-2-4-12(15)19-9/h1-5,7H,6H2
InChIKeyBSFZDOWVCRWNKF-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 4531532
6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one
CID 24596463
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
6-bromo-3-[(4-tert-butyl-2,6-dimethylphenyl)methyl]quinazolin-4-one
CID 7488425
6-chloro-3-[(5-chlorothiophen-2-yl)methyl]pyrimidin-4-one
CID 114582090
6-bromo-3-[(2,2-dichlorocyclopropyl)methyl]quinazolin-4-one
CID 16619810
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one (CID 47112822) is 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)s1.
What is the InChIKey of 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one?
The InChIKey is BSFZDOWVCRWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2OS/c14-8-1-3-11-10(5-8)13(18)17(7-16-11)6-9-2-4-12(15)19-9/h1-5,7H,6H2.
What are the key properties of 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one?
6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one has a molecular weight of 355.64 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 47112822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).