2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol

C19H26N2O2 — CID 133438401

IUPAC2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol
SMILESCCc1c(C)nc2ccccc2c1NCC1(CCO)CCOC1
InChIInChI=1S/C19H26N2O2/c1-3-15-14(2)21-17-7-5-4-6-16(17)18(15)20-12-19(8-10-22)9-11-23-13-19/h4-7,22H,3,8-13H2,1-2H3,(H,20,21)
InChIKeyHWEZELRLBZPWKT-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.31
Rot. Bonds6

About 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol

2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol (PubChem CID 133438401) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol
PubChem CID133438401
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol
SMILESCCc1c(C)nc2ccccc2c1NCC1(CCO)CCOC1
InChIInChI=1S/C19H26N2O2/c1-3-15-14(2)21-17-7-5-4-6-16(17)18(15)20-12-19(8-10-22)9-11-23-13-19/h4-7,22H,3,8-13H2,1-2H3,(H,20,21)
InChIKeyHWEZELRLBZPWKT-UHFFFAOYSA-N
XLogP3.31
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol?
The IUPAC name of 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol (CID 133438401) is 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol?
The canonical SMILES for 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol is CCc1c(C)nc2ccccc2c1NCC1(CCO)CCOC1.
What is the InChIKey of 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol?
The InChIKey is HWEZELRLBZPWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-15-14(2)21-17-7-5-4-6-16(17)18(15)20-12-19(8-10-22)9-11-23-13-19/h4-7,22H,3,8-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol?
2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol has a molecular weight of 314.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol is sourced from PubChem (CID 133438401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).