3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol

C14H17FN2OS — CID 71874385

IUPAC3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C14H17FN2OS/c1-19-9-11(5-7-18)17-13-4-6-16-14-8-10(15)2-3-12(13)14/h2-4,6,8,11,18H,5,7,9H2,1H3,(H,16,17)
InChIKeyYTYCJSAGAXVRFR-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.90
Rot. Bonds6

About 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol

3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol (PubChem CID 71874385) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol
PubChem CID71874385
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C14H17FN2OS/c1-19-9-11(5-7-18)17-13-4-6-16-14-8-10(15)2-3-12(13)14/h2-4,6,8,11,18H,5,7,9H2,1H3,(H,16,17)
InChIKeyYTYCJSAGAXVRFR-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol (CID 71874385) is 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol is CSCC(CCO)Nc1ccnc2cc(F)ccc12.
What is the InChIKey of 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol?
The InChIKey is YTYCJSAGAXVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-19-9-11(5-7-18)17-13-4-6-16-14-8-10(15)2-3-12(13)14/h2-4,6,8,11,18H,5,7,9H2,1H3,(H,16,17).
What are the key properties of 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol?
3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoroquinolin-4-yl)amino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 71874385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).