1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol

C20H29ClN2O — CID 90669711

IUPAC1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1ccc(Cl)c2c(C)ccnc12
InChIInChI=1S/C20H29ClN2O/c1-4-6-12-23(13-7-5-2)14-18(24)16-8-9-17(21)19-15(3)10-11-22-20(16)19/h8-11,18,24H,4-7,12-14H2,1-3H3
InChIKeyXEFGAPDDWUBGQQ-UHFFFAOYSA-N
MW348.92 g/mol
LogP5.13
Rot. Bonds9

About 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol

1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol (PubChem CID 90669711) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol.

Molecular Properties

Compound Name1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol
PubChem CID90669711
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1ccc(Cl)c2c(C)ccnc12
InChIInChI=1S/C20H29ClN2O/c1-4-6-12-23(13-7-5-2)14-18(24)16-8-9-17(21)19-15(3)10-11-22-20(16)19/h8-11,18,24H,4-7,12-14H2,1-3H3
InChIKeyXEFGAPDDWUBGQQ-UHFFFAOYSA-N
XLogP5.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.92
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol?
The IUPAC name of 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol (CID 90669711) is 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol.
What is the SMILES notation for 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol?
The canonical SMILES for 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol is CCCCN(CCCC)CC(O)c1ccc(Cl)c2c(C)ccnc12.
What is the InChIKey of 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol?
The InChIKey is XEFGAPDDWUBGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O/c1-4-6-12-23(13-7-5-2)14-18(24)16-8-9-17(21)19-15(3)10-11-22-20(16)19/h8-11,18,24H,4-7,12-14H2,1-3H3.
What are the key properties of 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol?
1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol has a molecular weight of 348.92 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol is sourced from PubChem (CID 90669711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).