5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride

C17H15Cl2FN2O — CID 138620659

IUPAC5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride
SMILESCl.Oc1c(CNCc2ccccc2F)cc(Cl)c2cccnc12
InChIInChI=1S/C17H14ClFN2O.ClH/c18-14-8-12(17(22)16-13(14)5-3-7-21-16)10-20-9-11-4-1-2-6-15(11)19;/h1-8,20,22H,9-10H2;1H
InChIKeyLBDAPWXVGUTLJV-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.44
Rot. Bonds4

About 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride

5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride (PubChem CID 138620659) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride
PubChem CID138620659
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride
SMILESCl.Oc1c(CNCc2ccccc2F)cc(Cl)c2cccnc12
InChIInChI=1S/C17H14ClFN2O.ClH/c18-14-8-12(17(22)16-13(14)5-3-7-21-16)10-20-9-11-4-1-2-6-15(11)19;/h1-8,20,22H,9-10H2;1H
InChIKeyLBDAPWXVGUTLJV-UHFFFAOYSA-N
XLogP4.44
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride
CID 20847
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2961169
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride?
The IUPAC name of 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride (CID 138620659) is 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride.
What is the SMILES notation for 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride?
The canonical SMILES for 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride is Cl.Oc1c(CNCc2ccccc2F)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride?
The InChIKey is LBDAPWXVGUTLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O.ClH/c18-14-8-12(17(22)16-13(14)5-3-7-21-16)10-20-9-11-4-1-2-6-15(11)19;/h1-8,20,22H,9-10H2;1H.
What are the key properties of 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride?
5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride has a molecular weight of 353.22 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride is sourced from PubChem (CID 138620659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).