7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride

C26H27ClN6O — CID 135502296

IUPAC7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride
SMILESCc1ccccc1/N=N/c1ccc(/N=N/c2cc(CN(C)C)c(O)c3ncccc23)c(C)c1.Cl
InChIInChI=1S/C26H26N6O.ClH/c1-17-8-5-6-10-22(17)29-28-20-11-12-23(18(2)14-20)30-31-24-15-19(16-32(3)4)26(33)25-21(24)9-7-13-27-25;/h5-15,33H,16H2,1-4H3;1H/b29-28+,31-30+;
InChIKeyCVGJOCYFJSRPLP-BBEMJUQRSA-N
MW475.00 g/mol
LogP7.87
Rot. Bonds6

About 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride

7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride (PubChem CID 135502296) has the molecular formula C26H27ClN6O and a molecular weight of 475.00 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride
PubChem CID135502296
Molecular FormulaC26H27ClN6O
Molecular Weight475.00 g/mol
Exact Mass474.19
IUPAC Name7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride
SMILESCc1ccccc1/N=N/c1ccc(/N=N/c2cc(CN(C)C)c(O)c3ncccc23)c(C)c1.Cl
InChIInChI=1S/C26H26N6O.ClH/c1-17-8-5-6-10-22(17)29-28-20-11-12-23(18(2)14-20)30-31-24-15-19(16-32(3)4)26(33)25-21(24)9-7-13-27-25;/h5-15,33H,16H2,1-4H3;1H/b29-28+,31-30+;
InChIKeyCVGJOCYFJSRPLP-BBEMJUQRSA-N
XLogP7.87
TPSA85.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.00
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[(2-methylphenyl)diazenyl]phenol
CID 137240605
(8-methylquinolin-5-yl)-phenyldiazene
CID 58482903
8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde
CID 135404716
diethyl-[(8-hydroxy-5-nitrosoquinolin-7-yl)methyl]azanium;chloride;hydrochloride
CID 44664975
bis(8-hydroxy-5-[(4-methylphenyl)diazenyl]quinoline-7-carbaldehyde);nickel
CID 135545236
carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
CID 123443435
hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium
CID 51063117
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
5,7-bis[(dibutylamino)methyl]quinolin-8-ol
CID 71405853
(4-diazenyl-3-methylphenyl)-(2-methylphenyl)diazene
CID 4196526
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
CID 135788850
CID 135788850

Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride?
The IUPAC name of 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride (CID 135502296) is 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride.
What is the SMILES notation for 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride?
The canonical SMILES for 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride is Cc1ccccc1/N=N/c1ccc(/N=N/c2cc(CN(C)C)c(O)c3ncccc23)c(C)c1.Cl.
What is the InChIKey of 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride?
The InChIKey is CVGJOCYFJSRPLP-BBEMJUQRSA-N. The full InChI is InChI=1S/C26H26N6O.ClH/c1-17-8-5-6-10-22(17)29-28-20-11-12-23(18(2)14-20)30-31-24-15-19(16-32(3)4)26(33)25-21(24)9-7-13-27-25;/h5-15,33H,16H2,1-4H3;1H/b29-28+,31-30+;.
What are the key properties of 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride?
7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride has a molecular weight of 475.00 g/mol, XLogP of 7.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylamino)methyl]-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]quinolin-8-ol;hydrochloride is sourced from PubChem (CID 135502296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).