6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine

C14H12BrN3OS — CID 106921619

IUPAC6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
SMILESCc1nc(Sc2c(N)cnc3ccc(Br)cc23)oc1C
InChIInChI=1S/C14H12BrN3OS/c1-7-8(2)19-14(18-7)20-13-10-5-9(15)3-4-12(10)17-6-11(13)16/h3-6H,16H2,1-2H3
InChIKeyVVOAKCLIHAOQET-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.34
Rot. Bonds2

About 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine

6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine (PubChem CID 106921619) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
PubChem CID106921619
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
SMILESCc1nc(Sc2c(N)cnc3ccc(Br)cc23)oc1C
InChIInChI=1S/C14H12BrN3OS/c1-7-8(2)19-14(18-7)20-13-10-5-9(15)3-4-12(10)17-6-11(13)16/h3-6H,16H2,1-2H3
InChIKeyVVOAKCLIHAOQET-UHFFFAOYSA-N
XLogP4.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The IUPAC name of 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine (CID 106921619) is 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The canonical SMILES for 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine is Cc1nc(Sc2c(N)cnc3ccc(Br)cc23)oc1C.
What is the InChIKey of 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The InChIKey is VVOAKCLIHAOQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-7-8(2)19-14(18-7)20-13-10-5-9(15)3-4-12(10)17-6-11(13)16/h3-6H,16H2,1-2H3.
What are the key properties of 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine has a molecular weight of 350.24 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine is sourced from PubChem (CID 106921619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).