N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine

C20H20Cl2N2O — CID 158802583

IUPACN-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESClc1cc2c(cc1Cl)N/C(=N\Cc1ccccc1)C1(CCOCC1)C2
InChIInChI=1S/C20H20Cl2N2O/c21-16-10-15-12-20(6-8-25-9-7-20)19(24-18(15)11-17(16)22)23-13-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H,23,24)
InChIKeyITRFFWNFZNSZMY-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.36
Rot. Bonds2

About N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine

N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (PubChem CID 158802583) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
PubChem CID158802583
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC NameN-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESClc1cc2c(cc1Cl)N/C(=N\Cc1ccccc1)C1(CCOCC1)C2
InChIInChI=1S/C20H20Cl2N2O/c21-16-10-15-12-20(6-8-25-9-7-20)19(24-18(15)11-17(16)22)23-13-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H,23,24)
InChIKeyITRFFWNFZNSZMY-UHFFFAOYSA-N
XLogP5.36
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The IUPAC name of N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (CID 158802583) is N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The canonical SMILES for N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is Clc1cc2c(cc1Cl)N/C(=N\Cc1ccccc1)C1(CCOCC1)C2.
What is the InChIKey of N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The InChIKey is ITRFFWNFZNSZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-16-10-15-12-20(6-8-25-9-7-20)19(24-18(15)11-17(16)22)23-13-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H,23,24).
What are the key properties of N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine has a molecular weight of 375.30 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is sourced from PubChem (CID 158802583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).