4-(3-bromopropylsulfanyl)quinazoline

C11H11BrN2S — CID 60895646

IUPAC4-(3-bromopropylsulfanyl)quinazoline
SMILESBrCCCSc1ncnc2ccccc12
InChIInChI=1S/C11H11BrN2S/c12-6-3-7-15-11-9-4-1-2-5-10(9)13-8-14-11/h1-2,4-5,8H,3,6-7H2
InChIKeyGNPMUVKMMDILJV-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.51
Rot. Bonds4

About 4-(3-bromopropylsulfanyl)quinazoline

4-(3-bromopropylsulfanyl)quinazoline (PubChem CID 60895646) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 4-(3-bromopropylsulfanyl)quinazoline.

Molecular Properties

Compound Name4-(3-bromopropylsulfanyl)quinazoline
PubChem CID60895646
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name4-(3-bromopropylsulfanyl)quinazoline
SMILESBrCCCSc1ncnc2ccccc12
InChIInChI=1S/C11H11BrN2S/c12-6-3-7-15-11-9-4-1-2-5-10(9)13-8-14-11/h1-2,4-5,8H,3,6-7H2
InChIKeyGNPMUVKMMDILJV-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
4-(3-bromo-2-phenylpropyl)sulfanylquinazoline
CID 65015814
N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
4-(2-phenoxyethylsulfanyl)quinazoline
CID 78761284
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
N-(2-methylpropyl)-4-quinazolin-4-ylsulfanylbutan-1-amine
CID 62576995
N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine
CID 64633462
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
4-(5-bromopentoxy)quinazoline
CID 163216994
4-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline
CID 62579327
4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline
CID 78900458

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropylsulfanyl)quinazoline?
The IUPAC name of 4-(3-bromopropylsulfanyl)quinazoline (CID 60895646) is 4-(3-bromopropylsulfanyl)quinazoline.
What is the SMILES notation for 4-(3-bromopropylsulfanyl)quinazoline?
The canonical SMILES for 4-(3-bromopropylsulfanyl)quinazoline is BrCCCSc1ncnc2ccccc12.
What is the InChIKey of 4-(3-bromopropylsulfanyl)quinazoline?
The InChIKey is GNPMUVKMMDILJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c12-6-3-7-15-11-9-4-1-2-5-10(9)13-8-14-11/h1-2,4-5,8H,3,6-7H2.
What are the key properties of 4-(3-bromopropylsulfanyl)quinazoline?
4-(3-bromopropylsulfanyl)quinazoline has a molecular weight of 283.19 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropylsulfanyl)quinazoline is sourced from PubChem (CID 60895646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).