3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol

C13H14F2N2O — CID 91661517

IUPAC3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C13H14F2N2O/c1-8(3-5-18)17-12-2-4-16-13-10(12)6-9(14)7-11(13)15/h2,4,6-8,18H,3,5H2,1H3,(H,16,17)
InChIKeyAPQIFEXDRPQDCB-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.70
Rot. Bonds4

About 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol

3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol (PubChem CID 91661517) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
PubChem CID91661517
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C13H14F2N2O/c1-8(3-5-18)17-12-2-4-16-13-10(12)6-9(14)7-11(13)15/h2,4,6-8,18H,3,5H2,1H3,(H,16,17)
InChIKeyAPQIFEXDRPQDCB-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6,8-difluoroquinolin-4-yl)amino]butan-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-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol (CID 91661517) is 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol is CC(CCO)Nc1ccnc2c(F)cc(F)cc12.
What is the InChIKey of 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol?
The InChIKey is APQIFEXDRPQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8(3-5-18)17-12-2-4-16-13-10(12)6-9(14)7-11(13)15/h2,4,6-8,18H,3,5H2,1H3,(H,16,17).
What are the key properties of 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol?
3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol has a molecular weight of 252.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 91661517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).