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

C17H26Cl3N3O — CID 20847

IUPAC5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride
SMILESCCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O.Cl.Cl
InChIInChI=1S/C17H24ClN3O.2ClH/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;2*1H
InChIKeyDSUSRMDNBSPLHV-UHFFFAOYSA-N
MW394.77 g/mol
LogP4.26
Rot. Bonds8

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

5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride (PubChem CID 20847) has the molecular formula C17H26Cl3N3O and a molecular weight of 394.77 g/mol. Its IUPAC name is 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride.

Molecular Properties

Compound Name5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride
PubChem CID20847
Molecular FormulaC17H26Cl3N3O
Molecular Weight394.77 g/mol
Exact Mass393.11
IUPAC Name5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride
SMILESCCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O.Cl.Cl
InChIInChI=1S/C17H24ClN3O.2ClH/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;2*1H
InChIKeyDSUSRMDNBSPLHV-UHFFFAOYSA-N
XLogP4.26
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 54.26
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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Related Compounds

5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride
CID 138620659
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
5,7-bis[(dibutylamino)methyl]quinolin-8-ol
CID 71405853
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
2-[(5-chloroquinolin-8-yl)methyl-ethylamino]ethanol
CID 60509838
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 29241597

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride?
The IUPAC name of 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride (CID 20847) is 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride.
What is the SMILES notation for 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride?
The canonical SMILES for 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride is CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O.Cl.Cl.
What is the InChIKey of 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride?
The InChIKey is DSUSRMDNBSPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O.2ClH/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;2*1H.
What are the key properties of 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride?
5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride has a molecular weight of 394.77 g/mol, XLogP of 4.26, 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;dihydrochloride is sourced from PubChem (CID 20847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).