3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine

C12H9BrN4OS — CID 106949983

IUPAC3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine
SMILESCc1nnc(Sc2ccc(N)c3cc(Br)cnc23)o1
InChIInChI=1S/C12H9BrN4OS/c1-6-16-17-12(18-6)19-10-3-2-9(14)8-4-7(13)5-15-11(8)10/h2-5H,14H2,1H3
InChIKeyPBUQWXOOBDIINJ-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.42
Rot. Bonds2

About 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine

3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine (PubChem CID 106949983) has the molecular formula C12H9BrN4OS and a molecular weight of 337.20 g/mol. Its IUPAC name is 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine
PubChem CID106949983
Molecular FormulaC12H9BrN4OS
Molecular Weight337.20 g/mol
Exact Mass335.97
IUPAC Name3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine
SMILESCc1nnc(Sc2ccc(N)c3cc(Br)cnc23)o1
InChIInChI=1S/C12H9BrN4OS/c1-6-16-17-12(18-6)19-10-3-2-9(14)8-4-7(13)5-15-11(8)10/h2-5H,14H2,1H3
InChIKeyPBUQWXOOBDIINJ-UHFFFAOYSA-N
XLogP3.42
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-(2-methylphenyl)sulfanylquinolin-5-amine
CID 106949970
3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
3-bromo-8-(1-methyltetrazol-5-yl)sulfanylquinolin-5-amine
CID 106949934
3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
CID 106949945
3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
CID 106949975
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine
CID 106950007
4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde
CID 63801877
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114062051
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine?
The IUPAC name of 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine (CID 106949983) is 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine?
The canonical SMILES for 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine is Cc1nnc(Sc2ccc(N)c3cc(Br)cnc23)o1.
What is the InChIKey of 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine?
The InChIKey is PBUQWXOOBDIINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4OS/c1-6-16-17-12(18-6)19-10-3-2-9(14)8-4-7(13)5-15-11(8)10/h2-5H,14H2,1H3.
What are the key properties of 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine?
3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine has a molecular weight of 337.20 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine is sourced from PubChem (CID 106949983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).