4-(3-bromophenyl)sulfanyl-6-chloroquinazoline

C14H8BrClN2S — CID 46879773

IUPAC4-(3-bromophenyl)sulfanyl-6-chloroquinazoline
SMILESClc1ccc2ncnc(Sc3cccc(Br)c3)c2c1
InChIInChI=1S/C14H8BrClN2S/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
InChIKeyBCQBJOAEHSUDBF-UHFFFAOYSA-N
MW351.66 g/mol
LogP5.20
Rot. Bonds2

About 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline

4-(3-bromophenyl)sulfanyl-6-chloroquinazoline (PubChem CID 46879773) has the molecular formula C14H8BrClN2S and a molecular weight of 351.66 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-6-chloroquinazoline
PubChem CID46879773
Molecular FormulaC14H8BrClN2S
Molecular Weight351.66 g/mol
Exact Mass349.93
IUPAC Name4-(3-bromophenyl)sulfanyl-6-chloroquinazoline
SMILESClc1ccc2ncnc(Sc3cccc(Br)c3)c2c1
InChIInChI=1S/C14H8BrClN2S/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
InChIKeyBCQBJOAEHSUDBF-UHFFFAOYSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 55.20
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-6-chloroquinazoline?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline (CID 46879773) is 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline is Clc1ccc2ncnc(Sc3cccc(Br)c3)c2c1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline?
The InChIKey is BCQBJOAEHSUDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2S/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H.
What are the key properties of 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline?
4-(3-bromophenyl)sulfanyl-6-chloroquinazoline has a molecular weight of 351.66 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-6-chloroquinazoline is sourced from PubChem (CID 46879773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).