N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine

C23H25ClN2O2 — CID 149124034

IUPACN-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine
SMILESClc1cccc(C/N=C2\Nc3cc4c(cc3CC23CCCCC3)OCCO4)c1
InChIInChI=1S/C23H25ClN2O2/c24-18-6-4-5-16(11-18)15-25-22-23(7-2-1-3-8-23)14-17-12-20-21(13-19(17)26-22)28-10-9-27-20/h4-6,11-13H,1-3,7-10,14-15H2,(H,25,26)
InChIKeyRANOGTKINNJSBM-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.63
Rot. Bonds2

About N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine

N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine (PubChem CID 149124034) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine
PubChem CID149124034
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC NameN-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine
SMILESClc1cccc(C/N=C2\Nc3cc4c(cc3CC23CCCCC3)OCCO4)c1
InChIInChI=1S/C23H25ClN2O2/c24-18-6-4-5-16(11-18)15-25-22-23(7-2-1-3-8-23)14-17-12-20-21(13-19(17)26-22)28-10-9-27-20/h4-6,11-13H,1-3,7-10,14-15H2,(H,25,26)
InChIKeyRANOGTKINNJSBM-UHFFFAOYSA-N
XLogP5.63
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine?
The IUPAC name of N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine (CID 149124034) is N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine is Clc1cccc(C/N=C2\Nc3cc4c(cc3CC23CCCCC3)OCCO4)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine?
The InChIKey is RANOGTKINNJSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-18-6-4-5-16(11-18)15-25-22-23(7-2-1-3-8-23)14-17-12-20-21(13-19(17)26-22)28-10-9-27-20/h4-6,11-13H,1-3,7-10,14-15H2,(H,25,26).
What are the key properties of N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine?
N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine has a molecular weight of 396.92 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine is sourced from PubChem (CID 149124034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).