1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol

C24H38N2O — CID 90669208

IUPAC1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(C(C)(C)C)nc2ccc(C)cc12
InChIInChI=1S/C24H38N2O/c1-7-9-13-26(14-10-8-2)17-22(27)20-16-23(24(4,5)6)25-21-12-11-18(3)15-19(20)21/h11-12,15-16,22,27H,7-10,13-14,17H2,1-6H3
InChIKeyAEFSNEMVBZLYCM-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.78
Rot. Bonds9

About 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol

1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol (PubChem CID 90669208) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol.

Molecular Properties

Compound Name1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol
PubChem CID90669208
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(C(C)(C)C)nc2ccc(C)cc12
InChIInChI=1S/C24H38N2O/c1-7-9-13-26(14-10-8-2)17-22(27)20-16-23(24(4,5)6)25-21-12-11-18(3)15-19(20)21/h11-12,15-16,22,27H,7-10,13-14,17H2,1-6H3
InChIKeyAEFSNEMVBZLYCM-UHFFFAOYSA-N
XLogP5.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol?
The IUPAC name of 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol (CID 90669208) is 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol.
What is the SMILES notation for 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol?
The canonical SMILES for 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol is CCCCN(CCCC)CC(O)c1cc(C(C)(C)C)nc2ccc(C)cc12.
What is the InChIKey of 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol?
The InChIKey is AEFSNEMVBZLYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-7-9-13-26(14-10-8-2)17-22(27)20-16-23(24(4,5)6)25-21-12-11-18(3)15-19(20)21/h11-12,15-16,22,27H,7-10,13-14,17H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol?
1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol has a molecular weight of 370.58 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol is sourced from PubChem (CID 90669208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).