5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride

C44H38Cl10N6O5 — CID 159345939

IUPAC5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride
SMILESCCNCc1ccc2c(Cl)cc(Cl)c(O)c2n1.CN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1.Cc1ccc2c(Cl)cc(Cl)c(O)c2n1.Cl.Cl.O=Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChIInChI=1S/2C12H12Cl2N2O.C10H5Cl2NO2.C10H7Cl2NO.2ClH/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7;1-2-15-6-7-3-4-8-9(13)5-10(14)12(17)11(8)16-7;11-7-3-8(12)10(15)9-6(7)2-1-5(4-14)13-9;1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;;/h3-5,17H,6H2,1-2H3;3-5,15,17H,2,6H2,1H3;1-4,15H;2-4,14H,1H3;2*1H
InChIKeyXVFJNGALNLZRET-UHFFFAOYSA-N
MW1085.35 g/mol
LogP14.12
Rot. Bonds6

About 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride

5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride (PubChem CID 159345939) has the molecular formula C44H38Cl10N6O5 and a molecular weight of 1085.35 g/mol. Its IUPAC name is 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride.

Molecular Properties

Compound Name5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride
PubChem CID159345939
Molecular FormulaC44H38Cl10N6O5
Molecular Weight1085.35 g/mol
Exact Mass1079.98
IUPAC Name5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride
SMILESCCNCc1ccc2c(Cl)cc(Cl)c(O)c2n1.CN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1.Cc1ccc2c(Cl)cc(Cl)c(O)c2n1.Cl.Cl.O=Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChIInChI=1S/2C12H12Cl2N2O.C10H5Cl2NO2.C10H7Cl2NO.2ClH/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7;1-2-15-6-7-3-4-8-9(13)5-10(14)12(17)11(8)16-7;11-7-3-8(12)10(15)9-6(7)2-1-5(4-14)13-9;1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;;/h3-5,17H,6H2,1-2H3;3-5,15,17H,2,6H2,1H3;1-4,15H;2-4,14H,1H3;2*1H
InChIKeyXVFJNGALNLZRET-UHFFFAOYSA-N
XLogP14.12
TPSA164.82 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.35
LogP ≤ 514.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride?
The IUPAC name of 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride (CID 159345939) is 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride.
What is the SMILES notation for 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride?
The canonical SMILES for 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride is CCNCc1ccc2c(Cl)cc(Cl)c(O)c2n1.CN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1.Cc1ccc2c(Cl)cc(Cl)c(O)c2n1.Cl.Cl.O=Cc1ccc2c(Cl)cc(Cl)c(O)c2n1.
What is the InChIKey of 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride?
The InChIKey is XVFJNGALNLZRET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12Cl2N2O.C10H5Cl2NO2.C10H7Cl2NO.2ClH/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7;1-2-15-6-7-3-4-8-9(13)5-10(14)12(17)11(8)16-7;11-7-3-8(12)10(15)9-6(7)2-1-5(4-14)13-9;1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;;/h3-5,17H,6H2,1-2H3;3-5,15,17H,2,6H2,1H3;1-4,15H;2-4,14H,1H3;2*1H.
What are the key properties of 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride?
5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride has a molecular weight of 1085.35 g/mol, XLogP of 14.12, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride is sourced from PubChem (CID 159345939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).