cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)

C44H34CdN6O6 — CID 10509772

IUPACcadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
SMILESO=[N+]([O-])c1cccc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1.O=[N+]([O-])c1cccc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1.[Cd]
InChIInChI=1S/2C22H17N3O3.Cd/c2*26-22-19(12-11-16-8-5-13-23-21(16)22)20(15-6-2-1-3-7-15)24-17-9-4-10-18(14-17)25(27)28;/h2*1-14,20,24,26H;
InChIKeyQYQUCFNFAHCGSS-UHFFFAOYSA-N
MW855.20 g/mol
LogP10.10
Rot. Bonds10

About cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)

cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol) (PubChem CID 10509772) has the molecular formula C44H34CdN6O6 and a molecular weight of 855.20 g/mol. Its IUPAC name is cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol).

Molecular Properties

Compound Namecadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
PubChem CID10509772
Molecular FormulaC44H34CdN6O6
Molecular Weight855.20 g/mol
Exact Mass856.16
IUPAC Namecadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
SMILESO=[N+]([O-])c1cccc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1.O=[N+]([O-])c1cccc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1.[Cd]
InChIInChI=1S/2C22H17N3O3.Cd/c2*26-22-19(12-11-16-8-5-13-23-21(16)22)20(15-6-2-1-3-7-15)24-17-9-4-10-18(14-17)25(27)28;/h2*1-14,20,24,26H;
InChIKeyQYQUCFNFAHCGSS-UHFFFAOYSA-N
XLogP10.10
TPSA176.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.20
LogP ≤ 510.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
CID 2278455
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
CID 7064514
4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide
CID 21139459
7-[(R)-[(3-hydroxypyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol
CID 7808519
ethyl 4-[[(8-hydroxyquinolin-7-yl)-(4-nitrophenyl)methyl]amino]benzoate
CID 67126854
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide
CID 146474860
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
CID 146474984
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol
CID 19233197
methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 6962939

Frequently Asked Questions

What is the IUPAC name of cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)?
The IUPAC name of cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol) (CID 10509772) is cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol).
What is the SMILES notation for cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)?
The canonical SMILES for cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol) is O=[N+]([O-])c1cccc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1.O=[N+]([O-])c1cccc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1.[Cd].
What is the InChIKey of cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)?
The InChIKey is QYQUCFNFAHCGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17N3O3.Cd/c2*26-22-19(12-11-16-8-5-13-23-21(16)22)20(15-6-2-1-3-7-15)24-17-9-4-10-18(14-17)25(27)28;/h2*1-14,20,24,26H;.
What are the key properties of cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)?
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol) has a molecular weight of 855.20 g/mol, XLogP of 10.10, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol) is sourced from PubChem (CID 10509772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).