4-(3-bromophenyl)sulfanyl-2-phenylquinazoline

C20H13BrN2S — CID 155522197

IUPAC4-(3-bromophenyl)sulfanyl-2-phenylquinazoline
SMILESBrc1cccc(Sc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C20H13BrN2S/c21-15-9-6-10-16(13-15)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H
InChIKeyBIYVYOOVCUWUAG-UHFFFAOYSA-N
MW393.31 g/mol
LogP6.21
Rot. Bonds3

About 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline

4-(3-bromophenyl)sulfanyl-2-phenylquinazoline (PubChem CID 155522197) has the molecular formula C20H13BrN2S and a molecular weight of 393.31 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-2-phenylquinazoline
PubChem CID155522197
Molecular FormulaC20H13BrN2S
Molecular Weight393.31 g/mol
Exact Mass392.00
IUPAC Name4-(3-bromophenyl)sulfanyl-2-phenylquinazoline
SMILESBrc1cccc(Sc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C20H13BrN2S/c21-15-9-6-10-16(13-15)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H
InChIKeyBIYVYOOVCUWUAG-UHFFFAOYSA-N
XLogP6.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline (CID 155522197) is 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline is Brc1cccc(Sc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline?
The InChIKey is BIYVYOOVCUWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2S/c21-15-9-6-10-16(13-15)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H.
What are the key properties of 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline?
4-(3-bromophenyl)sulfanyl-2-phenylquinazoline has a molecular weight of 393.31 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-2-phenylquinazoline is sourced from PubChem (CID 155522197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).