3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline

C15H13BrN2S — CID 677983

IUPAC3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline
SMILESCSC1=Nc2ccccc2CN1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2S/c1-19-15-17-14-5-3-2-4-11(14)10-18(15)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3
InChIKeyPODZEUJGLZONDY-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.82
Rot. Bonds1

About 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline

3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline (PubChem CID 677983) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline
PubChem CID677983
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline
SMILESCSC1=Nc2ccccc2CN1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2S/c1-19-15-17-14-5-3-2-4-11(14)10-18(15)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3
InChIKeyPODZEUJGLZONDY-UHFFFAOYSA-N
XLogP4.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-2-methylsulfanyl-4H-quinazoline
CID 163198633
6-methylsulfanyl-13,15-dihydro-8H-phthalazino[2,3-c][1,3,4]benzotriazepine
CID 10589988
2-chloro-3-phenyl-4H-quinazoline
CID 174952978
2-methylsulfanyl-3-phenyl-5H-1,3-benzodiazepine-4-thione
CID 102166943
2-(4-methylphenyl)-3-phenyl-4H-quinazoline
CID 174881000
2-(chloromethyl)-3-(4-ethoxyphenyl)-4H-quinazoline
CID 175305189
2-methyl-3-(2-methylphenyl)-4H-quinazoline
CID 174924725
2,8-dihydro-1H-azeto[2,1-b]quinazoline
CID 15852512
(2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one
CID 71605339
5H-[1,3]thiazolo[2,3-b]quinazolin-3-one;hydrobromide
CID 18531648
2-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
CID 15578956
2-(4-methylphenyl)-3H-isoindole-1-thione
CID 837046

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline?
The IUPAC name of 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline (CID 677983) is 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline.
What is the SMILES notation for 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline?
The canonical SMILES for 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline is CSC1=Nc2ccccc2CN1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline?
The InChIKey is PODZEUJGLZONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c1-19-15-17-14-5-3-2-4-11(14)10-18(15)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline?
3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline has a molecular weight of 333.25 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline is sourced from PubChem (CID 677983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).