2-bromo-4-dibenzothiophen-3-ylquinazoline

C20H11BrN2S — CID 134362510

IUPAC2-bromo-4-dibenzothiophen-3-ylquinazoline
SMILESBrc1nc(-c2ccc3c(c2)sc2ccccc23)c2ccccc2n1
InChIInChI=1S/C20H11BrN2S/c21-20-22-16-7-3-1-6-15(16)19(23-20)12-9-10-14-13-5-2-4-8-17(13)24-18(14)11-12/h1-11H
InChIKeyTXJXUCRSSUUSOR-UHFFFAOYSA-N
MW391.29 g/mol
LogP6.43
Rot. Bonds1

About 2-bromo-4-dibenzothiophen-3-ylquinazoline

2-bromo-4-dibenzothiophen-3-ylquinazoline (PubChem CID 134362510) has the molecular formula C20H11BrN2S and a molecular weight of 391.29 g/mol. Its IUPAC name is 2-bromo-4-dibenzothiophen-3-ylquinazoline.

Molecular Properties

Compound Name2-bromo-4-dibenzothiophen-3-ylquinazoline
PubChem CID134362510
Molecular FormulaC20H11BrN2S
Molecular Weight391.29 g/mol
Exact Mass389.98
IUPAC Name2-bromo-4-dibenzothiophen-3-ylquinazoline
SMILESBrc1nc(-c2ccc3c(c2)sc2ccccc23)c2ccccc2n1
InChIInChI=1S/C20H11BrN2S/c21-20-22-16-7-3-1-6-15(16)19(23-20)12-9-10-14-13-5-2-4-8-17(13)24-18(14)11-12/h1-11H
InChIKeyTXJXUCRSSUUSOR-UHFFFAOYSA-N
XLogP6.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.29
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
CID 163797319
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylquinazoline
CID 155328603
7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
CID 165028329
4-phenyl-2-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)quinazoline
CID 147261870
2-tert-butyl-4-dibenzothiophen-2-ylquinazoline
CID 134252322
7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline
CID 165020673
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
12-[4-(4-dibenzothiophen-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149666
2-[7-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]dibenzothiophen-3-yl]-4-(3-phenylphenyl)quinazoline
CID 118640887
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
3-(3-bromophenyl)-2-dibenzothiophen-3-yl-[1]benzothiolo[2,3-b]pyrazine
CID 151918543
4-dibenzothiophen-3-yl-2,5-diphenyl-1H-imidazole
CID 3913842

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-dibenzothiophen-3-ylquinazoline?
The IUPAC name of 2-bromo-4-dibenzothiophen-3-ylquinazoline (CID 134362510) is 2-bromo-4-dibenzothiophen-3-ylquinazoline.
What is the SMILES notation for 2-bromo-4-dibenzothiophen-3-ylquinazoline?
The canonical SMILES for 2-bromo-4-dibenzothiophen-3-ylquinazoline is Brc1nc(-c2ccc3c(c2)sc2ccccc23)c2ccccc2n1.
What is the InChIKey of 2-bromo-4-dibenzothiophen-3-ylquinazoline?
The InChIKey is TXJXUCRSSUUSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrN2S/c21-20-22-16-7-3-1-6-15(16)19(23-20)12-9-10-14-13-5-2-4-8-17(13)24-18(14)11-12/h1-11H.
What are the key properties of 2-bromo-4-dibenzothiophen-3-ylquinazoline?
2-bromo-4-dibenzothiophen-3-ylquinazoline has a molecular weight of 391.29 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-dibenzothiophen-3-ylquinazoline is sourced from PubChem (CID 134362510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).