5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol

C21H26N4OS — CID 88557812

IUPAC5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol
SMILESCCCN(CCc1ccc(O)c2ncccc12)C1CCc2nc(N)sc2C1
InChIInChI=1S/C21H26N4OS/c1-2-11-25(15-6-7-17-19(13-15)27-21(22)24-17)12-9-14-5-8-18(26)20-16(14)4-3-10-23-20/h3-5,8,10,15,26H,2,6-7,9,11-13H2,1H3,(H2,22,24)
InChIKeySLEWRNDMJPFZFI-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.79
Rot. Bonds6

About 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol

5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol (PubChem CID 88557812) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol
PubChem CID88557812
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol
SMILESCCCN(CCc1ccc(O)c2ncccc12)C1CCc2nc(N)sc2C1
InChIInChI=1S/C21H26N4OS/c1-2-11-25(15-6-7-17-19(13-15)27-21(22)24-17)12-9-14-5-8-18(26)20-16(14)4-3-10-23-20/h3-5,8,10,15,26H,2,6-7,9,11-13H2,1H3,(H2,22,24)
InChIKeySLEWRNDMJPFZFI-UHFFFAOYSA-N
XLogP3.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-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 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol?
The IUPAC name of 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol (CID 88557812) is 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol.
What is the SMILES notation for 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol?
The canonical SMILES for 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol is CCCN(CCc1ccc(O)c2ncccc12)C1CCc2nc(N)sc2C1.
What is the InChIKey of 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol?
The InChIKey is SLEWRNDMJPFZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-2-11-25(15-6-7-17-19(13-15)27-21(22)24-17)12-9-14-5-8-18(26)20-16(14)4-3-10-23-20/h3-5,8,10,15,26H,2,6-7,9,11-13H2,1H3,(H2,22,24).
What are the key properties of 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol?
5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol has a molecular weight of 382.53 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]quinolin-8-ol is sourced from PubChem (CID 88557812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).