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

C13H10BrN3OS — CID 106921463

IUPAC6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
SMILESCc1coc(Sc2c(N)cnc3ccc(Br)cc23)n1
InChIInChI=1S/C13H10BrN3OS/c1-7-6-18-13(17-7)19-12-9-4-8(14)2-3-11(9)16-5-10(12)15/h2-6H,15H2,1H3
InChIKeySDMWMODKEUOPMZ-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.03
Rot. Bonds2

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

6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine (PubChem CID 106921463) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
PubChem CID106921463
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
SMILESCc1coc(Sc2c(N)cnc3ccc(Br)cc23)n1
InChIInChI=1S/C13H10BrN3OS/c1-7-6-18-13(17-7)19-12-9-4-8(14)2-3-11(9)16-5-10(12)15/h2-6H,15H2,1H3
InChIKeySDMWMODKEUOPMZ-UHFFFAOYSA-N
XLogP4.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine with MolForge

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Related Compounds

2-[(7-Bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 104891729
6-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine
CID 106370004
6-Bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine
CID 106921305
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921474
5-Bromo-4-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921475
8-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921512
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
CID 106921570
5-Bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921572
5-Bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
5-Bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921585
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921591
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921597

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The IUPAC name of 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine (CID 106921463) is 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The canonical SMILES for 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine is Cc1coc(Sc2c(N)cnc3ccc(Br)cc23)n1.
What is the InChIKey of 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The InChIKey is SDMWMODKEUOPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c1-7-6-18-13(17-7)19-12-9-4-8(14)2-3-11(9)16-5-10(12)15/h2-6H,15H2,1H3.
What are the key properties of 6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
6-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine has a molecular weight of 336.21 g/mol, XLogP of 4.03, 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-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine is sourced from PubChem (CID 106921463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).