3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine

C15H20BrN3S — CID 106950007

IUPAC3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine
SMILESCCN(CC)CCSc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C15H20BrN3S/c1-3-19(4-2)7-8-20-14-6-5-13(17)12-9-11(16)10-18-15(12)14/h5-6,9-10H,3-4,7-8,17H2,1-2H3
InChIKeyAJCVCLKCDGWVOD-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.01
Rot. Bonds6

About 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine

3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine (PubChem CID 106950007) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine
PubChem CID106950007
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine
SMILESCCN(CC)CCSc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C15H20BrN3S/c1-3-19(4-2)7-8-20-14-6-5-13(17)12-9-11(16)10-18-15(12)14/h5-6,9-10H,3-4,7-8,17H2,1-2H3
InChIKeyAJCVCLKCDGWVOD-UHFFFAOYSA-N
XLogP4.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
3-bromo-8-(2-methylphenyl)sulfanylquinolin-5-amine
CID 106949970
1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol
CID 106949490
3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 106949135
2-[2-(diethylamino)ethylsulfanyl]-5-iodoaniline
CID 66079996
3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
CID 106949945
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine
CID 106949983
3-bromo-8-(1-methyltetrazol-5-yl)sulfanylquinolin-5-amine
CID 106949934
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
CID 106949975

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine?
The IUPAC name of 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine (CID 106950007) is 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine?
The canonical SMILES for 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine is CCN(CC)CCSc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine?
The InChIKey is AJCVCLKCDGWVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-3-19(4-2)7-8-20-14-6-5-13(17)12-9-11(16)10-18-15(12)14/h5-6,9-10H,3-4,7-8,17H2,1-2H3.
What are the key properties of 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine?
3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine has a molecular weight of 354.32 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine is sourced from PubChem (CID 106950007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).