N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine

C20H21Cl2N3 — CID 137104775

IUPACN-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESClc1cc(Cl)c2c(c1)N/C(=N\Cc1ccccc1)C1(CCCCC1)N2
InChIInChI=1S/C20H21Cl2N3/c21-15-11-16(22)18-17(12-15)24-19(20(25-18)9-5-2-6-10-20)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,25H,2,5-6,9-10,13H2,(H,23,24)
InChIKeyMGNHFHQVKHDZDA-UHFFFAOYSA-N
MW374.32 g/mol
LogP6.13
Rot. Bonds2

About N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine

N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (PubChem CID 137104775) has the molecular formula C20H21Cl2N3 and a molecular weight of 374.32 g/mol. Its IUPAC name is N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
PubChem CID137104775
Molecular FormulaC20H21Cl2N3
Molecular Weight374.32 g/mol
Exact Mass373.11
IUPAC NameN-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESClc1cc(Cl)c2c(c1)N/C(=N\Cc1ccccc1)C1(CCCCC1)N2
InChIInChI=1S/C20H21Cl2N3/c21-15-11-16(22)18-17(12-15)24-19(20(25-18)9-5-2-6-10-20)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,25H,2,5-6,9-10,13H2,(H,23,24)
InChIKeyMGNHFHQVKHDZDA-UHFFFAOYSA-N
XLogP6.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (CID 137104775) is N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is Clc1cc(Cl)c2c(c1)N/C(=N\Cc1ccccc1)C1(CCCCC1)N2.
What is the InChIKey of N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The InChIKey is MGNHFHQVKHDZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3/c21-15-11-16(22)18-17(12-15)24-19(20(25-18)9-5-2-6-10-20)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,25H,2,5-6,9-10,13H2,(H,23,24).
What are the key properties of N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine has a molecular weight of 374.32 g/mol, XLogP of 6.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,7-dichlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 137104775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).