7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one

C13H9BrN2OS — CID 115299855

IUPAC7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1ccsc1
InChIInChI=1S/C13H9BrN2OS/c14-10-1-2-11-12(5-10)15-8-16(13(11)17)6-9-3-4-18-7-9/h1-5,7-8H,6H2
InChIKeyUZXWXDNMASNIHM-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.27
Rot. Bonds2

About 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one

7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one (PubChem CID 115299855) has the molecular formula C13H9BrN2OS and a molecular weight of 321.20 g/mol. Its IUPAC name is 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
PubChem CID115299855
Molecular FormulaC13H9BrN2OS
Molecular Weight321.20 g/mol
Exact Mass319.96
IUPAC Name7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1ccsc1
InChIInChI=1S/C13H9BrN2OS/c14-10-1-2-11-12(5-10)15-8-16(13(11)17)6-9-3-4-18-7-9/h1-5,7-8H,6H2
InChIKeyUZXWXDNMASNIHM-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-7-bromoquinazolin-4-one
CID 23158166
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
7-bromo-3-[(1-ethylpyrazol-4-yl)methyl]quinazolin-4-one
CID 115299850
3-[(7-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 78961074
5-bromo-6-chloro-3-(thiophen-3-ylmethyl)pyrimidin-4-one
CID 114583667
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
CID 78961139
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
CID 81435822
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
7-bromo-3-[(2-chloro-5-fluorophenyl)methyl]quinazolin-4-one
CID 102604909

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one (CID 115299855) is 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one is O=c1c2ccc(Br)cc2ncn1Cc1ccsc1.
What is the InChIKey of 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one?
The InChIKey is UZXWXDNMASNIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2OS/c14-10-1-2-11-12(5-10)15-8-16(13(11)17)6-9-3-4-18-7-9/h1-5,7-8H,6H2.
What are the key properties of 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one?
7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one has a molecular weight of 321.20 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 115299855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).