5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol

C17H24ClN3O — CID 18029

IUPAC5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol
SMILESCCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C17H24ClN3O/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3
InChIKeyHOFHLRCDGWSLHX-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.42
Rot. Bonds8

About 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol

5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol (PubChem CID 18029) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol
PubChem CID18029
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol
SMILESCCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C17H24ClN3O/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3
InChIKeyHOFHLRCDGWSLHX-UHFFFAOYSA-N
XLogP3.42
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol (CID 18029) is 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol is CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol?
The InChIKey is HOFHLRCDGWSLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3.
What are the key properties of 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol?
5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol has a molecular weight of 321.85 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol is sourced from PubChem (CID 18029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).