5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol

C20H19Cl2N2O2+ — CID 6972928

IUPAC5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol
SMILESOc1c([C@H](c2ccc(Cl)cc2)[NH+]2CCOCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C20H18Cl2N2O2/c21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25/h1-7,12,19,25H,8-11H2/p+1/t19-/m0/s1
InChIKeyDCTAYAHGXNQCJD-IBGZPJMESA-O
MW390.29 g/mol
LogP3.25
Rot. Bonds3

About 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol

5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol (PubChem CID 6972928) has the molecular formula C20H19Cl2N2O2+ and a molecular weight of 390.29 g/mol. Its IUPAC name is 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol
PubChem CID6972928
Molecular FormulaC20H19Cl2N2O2+
Molecular Weight390.29 g/mol
Exact Mass389.08
IUPAC Name5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol
SMILESOc1c([C@H](c2ccc(Cl)cc2)[NH+]2CCOCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C20H18Cl2N2O2/c21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25/h1-7,12,19,25H,8-11H2/p+1/t19-/m0/s1
InChIKeyDCTAYAHGXNQCJD-IBGZPJMESA-O
XLogP3.25
TPSA46.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.25
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-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol
CID 1181700
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
5-chloro-7-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7762088
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol
CID 146026296
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
CID 171863193
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
7-[(4-bromophenyl)-pyrrolidin-1-ylmethyl]-5-chloroquinolin-8-ol
CID 5185434
5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4220074
N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
CID 2259163
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol (CID 6972928) is 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol is Oc1c([C@H](c2ccc(Cl)cc2)[NH+]2CCOCC2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol?
The InChIKey is DCTAYAHGXNQCJD-IBGZPJMESA-O. The full InChI is InChI=1S/C20H18Cl2N2O2/c21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25/h1-7,12,19,25H,8-11H2/p+1/t19-/m0/s1.
What are the key properties of 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol?
5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol has a molecular weight of 390.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 6972928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).