5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride

C15H20Cl3N3O — CID 131888000

IUPAC5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
SMILESCN1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1.Cl.Cl
InChIInChI=1S/C15H18ClN3O.2ClH/c1-18-5-7-19(8-6-18)10-11-9-13(16)12-3-2-4-17-14(12)15(11)20;;/h2-4,9,20H,5-8,10H2,1H3;2*1H
InChIKeyXGLJSZDSZKWTIP-UHFFFAOYSA-N
MW364.70 g/mol
LogP3.18
Rot. Bonds2

About 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride

5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride (PubChem CID 131888000) has the molecular formula C15H20Cl3N3O and a molecular weight of 364.70 g/mol. Its IUPAC name is 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride.

Molecular Properties

Compound Name5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
PubChem CID131888000
Molecular FormulaC15H20Cl3N3O
Molecular Weight364.70 g/mol
Exact Mass363.07
IUPAC Name5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
SMILESCN1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1.Cl.Cl
InChIInChI=1S/C15H18ClN3O.2ClH/c1-18-5-7-19(8-6-18)10-11-9-13(16)12-3-2-4-17-14(12)15(11)20;;/h2-4,9,20H,5-8,10H2,1H3;2*1H
InChIKeyXGLJSZDSZKWTIP-UHFFFAOYSA-N
XLogP3.18
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
[5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] pyridine-4-carboxylate
CID 3464185
2-[4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 78333510
[5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] 2,4-dichlorobenzoate
CID 4514076
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094
5-methyl-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23765907
1-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]-1-methyl-3-phenylurea
CID 91667442
N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 91667484
16-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]-1-oxa-7,10,13-trithia-4,16-diazacyclooctadecan-5-one
CID 11103280
7-[[4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2,5-dimethylpiperazin-1-yl]methyl]-5-methylquinolin-8-ol
CID 157165811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride?
The IUPAC name of 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride (CID 131888000) is 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride.
What is the SMILES notation for 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride?
The canonical SMILES for 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride is CN1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1.Cl.Cl.
What is the InChIKey of 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride?
The InChIKey is XGLJSZDSZKWTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.2ClH/c1-18-5-7-19(8-6-18)10-11-9-13(16)12-3-2-4-17-14(12)15(11)20;;/h2-4,9,20H,5-8,10H2,1H3;2*1H.
What are the key properties of 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride?
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride has a molecular weight of 364.70 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride is sourced from PubChem (CID 131888000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).