7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine

C13H10FN3OS — CID 106921521

IUPAC7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
SMILESCc1coc(Sc2c(F)cc(N)c3cccnc23)n1
InChIInChI=1S/C13H10FN3OS/c1-7-6-18-13(17-7)19-12-9(14)5-10(15)8-3-2-4-16-11(8)12/h2-6H,15H2,1H3
InChIKeyFCCMVYSKLXUQHA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.40
Rot. Bonds2

About 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine

7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine (PubChem CID 106921521) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine.

Molecular Properties

Compound Name7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
PubChem CID106921521
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
SMILESCc1coc(Sc2c(F)cc(N)c3cccnc23)n1
InChIInChI=1S/C13H10FN3OS/c1-7-6-18-13(17-7)19-12-9(14)5-10(15)8-3-2-4-16-11(8)12/h2-6H,15H2,1H3
InChIKeyFCCMVYSKLXUQHA-UHFFFAOYSA-N
XLogP3.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

7-Fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921361
8-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine
CID 106921671
3-Methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921318
5-(1,3-Oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921325
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
6-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921371
4-(1,3-Oxazol-2-ylsulfanyl)quinolin-7-amine
CID 106921410
2-(1,3-Oxazol-2-ylsulfanyl)quinolin-6-amine
CID 106921414
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921474
3-Methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921478
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921485
8-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921512

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The IUPAC name of 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine (CID 106921521) is 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine.
What is the SMILES notation for 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The canonical SMILES for 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine is Cc1coc(Sc2c(F)cc(N)c3cccnc23)n1.
What is the InChIKey of 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The InChIKey is FCCMVYSKLXUQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-7-6-18-13(17-7)19-12-9(14)5-10(15)8-3-2-4-16-11(8)12/h2-6H,15H2,1H3.
What are the key properties of 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine has a molecular weight of 275.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine is sourced from PubChem (CID 106921521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).