5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine

C21H22Cl2N4O2 — CID 137105450

IUPAC5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine
SMILESClc1cccc(C/N=C2\Nc3cc(Cl)c4c(c3NC23CCNCC3)OCCO4)c1
InChIInChI=1S/C21H22Cl2N4O2/c22-14-3-1-2-13(10-14)12-25-20-21(4-6-24-7-5-21)27-17-16(26-20)11-15(23)18-19(17)29-9-8-28-18/h1-3,10-11,24,27H,4-9,12H2,(H,25,26)
InChIKeyVTKOGTBXCHZFEX-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.32
Rot. Bonds2

About 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine

5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine (PubChem CID 137105450) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine
PubChem CID137105450
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC Name5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine
SMILESClc1cccc(C/N=C2\Nc3cc(Cl)c4c(c3NC23CCNCC3)OCCO4)c1
InChIInChI=1S/C21H22Cl2N4O2/c22-14-3-1-2-13(10-14)12-25-20-21(4-6-24-7-5-21)27-17-16(26-20)11-15(23)18-19(17)29-9-8-28-18/h1-3,10-11,24,27H,4-9,12H2,(H,25,26)
InChIKeyVTKOGTBXCHZFEX-UHFFFAOYSA-N
XLogP4.32
TPSA66.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6,7-dibromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105442
6,7-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137032040
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137104906
N-[(3-chlorophenyl)methyl]-6,7-dimethoxyspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105266
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-azepane]-2-imine;ethane
CID 145079494
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-6-carbonitrile
CID 137104901
5,8-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105338
N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137100510
N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137122971
5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105039
N-[(3-chlorophenyl)methyl]-6,7-dimethylspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105099
N-[(3-chlorophenyl)methyl]-5-prop-2-enylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137146247

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine?
The IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine (CID 137105450) is 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine.
What is the SMILES notation for 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine?
The canonical SMILES for 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine is Clc1cccc(C/N=C2\Nc3cc(Cl)c4c(c3NC23CCNCC3)OCCO4)c1.
What is the InChIKey of 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine?
The InChIKey is VTKOGTBXCHZFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c22-14-3-1-2-13(10-14)12-25-20-21(4-6-24-7-5-21)27-17-16(26-20)11-15(23)18-19(17)29-9-8-28-18/h1-3,10-11,24,27H,4-9,12H2,(H,25,26).
What are the key properties of 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine?
5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine has a molecular weight of 433.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine is sourced from PubChem (CID 137105450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).