2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol

C18H21N3O2S — CID 177169613

IUPAC2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol
SMILESCCOc1ccc2nc(CN(CCO)Cc3cncs3)ccc2c1
InChIInChI=1S/C18H21N3O2S/c1-2-23-16-5-6-18-14(9-16)3-4-15(20-18)11-21(7-8-22)12-17-10-19-13-24-17/h3-6,9-10,13,22H,2,7-8,11-12H2,1H3
InChIKeyKOIDVWRCTDAZPK-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.08
Rot. Bonds8

About 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol

2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol (PubChem CID 177169613) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol
PubChem CID177169613
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol
SMILESCCOc1ccc2nc(CN(CCO)Cc3cncs3)ccc2c1
InChIInChI=1S/C18H21N3O2S/c1-2-23-16-5-6-18-14(9-16)3-4-15(20-18)11-21(7-8-22)12-17-10-19-13-24-17/h3-6,9-10,13,22H,2,7-8,11-12H2,1H3
InChIKeyKOIDVWRCTDAZPK-UHFFFAOYSA-N
XLogP3.08
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol (CID 177169613) is 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol is CCOc1ccc2nc(CN(CCO)Cc3cncs3)ccc2c1.
What is the InChIKey of 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol?
The InChIKey is KOIDVWRCTDAZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-23-16-5-6-18-14(9-16)3-4-15(20-18)11-21(7-8-22)12-17-10-19-13-24-17/h3-6,9-10,13,22H,2,7-8,11-12H2,1H3.
What are the key properties of 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol?
2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol has a molecular weight of 343.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol is sourced from PubChem (CID 177169613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).