1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol

C21H31ClN2O — CID 90669707

IUPAC1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cnc2c(C)cc(C)cc2c1Cl
InChIInChI=1S/C21H31ClN2O/c1-5-7-9-24(10-8-6-2)14-19(25)18-13-23-21-16(4)11-15(3)12-17(21)20(18)22/h11-13,19,25H,5-10,14H2,1-4H3
InChIKeyNHMQFOFQUZYJAR-UHFFFAOYSA-N
MW362.95 g/mol
LogP5.44
Rot. Bonds9

About 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol

1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol (PubChem CID 90669707) has the molecular formula C21H31ClN2O and a molecular weight of 362.95 g/mol. Its IUPAC name is 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol.

Molecular Properties

Compound Name1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol
PubChem CID90669707
Molecular FormulaC21H31ClN2O
Molecular Weight362.95 g/mol
Exact Mass362.21
IUPAC Name1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cnc2c(C)cc(C)cc2c1Cl
InChIInChI=1S/C21H31ClN2O/c1-5-7-9-24(10-8-6-2)14-19(25)18-13-23-21-16(4)11-15(3)12-17(21)20(18)22/h11-13,19,25H,5-10,14H2,1-4H3
InChIKeyNHMQFOFQUZYJAR-UHFFFAOYSA-N
XLogP5.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.95
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1514385
CID 1514385
CID 12662983
CID 12662983
CID 4162665
CID 4162665
CID 117869774
CID 117869774
CID 865105
CID 865105
CID 12415752
CID 12415752
CID 117868837
CID 117868837
CID 865104
CID 865104
CID 15513770
CID 15513770
CID 21271234
CID 21271234
CID 423786
CID 423786
CID 12269740
CID 12269740

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol?
The IUPAC name of 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol (CID 90669707) is 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol.
What is the SMILES notation for 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol?
The canonical SMILES for 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol is CCCCN(CCCC)CC(O)c1cnc2c(C)cc(C)cc2c1Cl.
What is the InChIKey of 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol?
The InChIKey is NHMQFOFQUZYJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O/c1-5-7-9-24(10-8-6-2)14-19(25)18-13-23-21-16(4)11-15(3)12-17(21)20(18)22/h11-13,19,25H,5-10,14H2,1-4H3.
What are the key properties of 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol?
1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol has a molecular weight of 362.95 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6,8-dimethylquinolin-3-yl)-2-(dibutylamino)ethanol is sourced from PubChem (CID 90669707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).