(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine

C23H22ClN3O — CID 156622336

IUPAC(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine
SMILESO/N=C(/Cc1ccc(Cl)cc1)N1CC2(CC(c3ccnc4ccccc34)C2)C1
InChIInChI=1S/C23H22ClN3O/c24-18-7-5-16(6-8-18)11-22(26-28)27-14-23(15-27)12-17(13-23)19-9-10-25-21-4-2-1-3-20(19)21/h1-10,17,28H,11-15H2/b26-22-
InChIKeyZKFSGTNCAFMQND-ROMGYVFFSA-N
MW391.90 g/mol
LogP5.10
Rot. Bonds3

About (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine

(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine (PubChem CID 156622336) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine
PubChem CID156622336
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine
SMILESO/N=C(/Cc1ccc(Cl)cc1)N1CC2(CC(c3ccnc4ccccc34)C2)C1
InChIInChI=1S/C23H22ClN3O/c24-18-7-5-16(6-8-18)11-22(26-28)27-14-23(15-27)12-17(13-23)19-9-10-25-21-4-2-1-3-20(19)21/h1-10,17,28H,11-15H2/b26-22-
InChIKeyZKFSGTNCAFMQND-ROMGYVFFSA-N
XLogP5.10
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine (CID 156622336) is (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine is O/N=C(/Cc1ccc(Cl)cc1)N1CC2(CC(c3ccnc4ccccc34)C2)C1.
What is the InChIKey of (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine?
The InChIKey is ZKFSGTNCAFMQND-ROMGYVFFSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-18-7-5-16(6-8-18)11-22(26-28)27-14-23(15-27)12-17(13-23)19-9-10-25-21-4-2-1-3-20(19)21/h1-10,17,28H,11-15H2/b26-22-.
What are the key properties of (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine?
(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine has a molecular weight of 391.90 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 156622336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).