6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene

C18H16Cl2N2O — CID 178174246

IUPAC6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene
SMILESClc1ccc(COc2cccc(C3=CC4(CNC4)C3)n2)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O/c19-14-5-4-12(15(20)6-14)9-23-17-3-1-2-16(22-17)13-7-18(8-13)10-21-11-18/h1-7,21H,8-11H2
InChIKeySGBBJFHUEWNDRO-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.34
Rot. Bonds4

About 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene

6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene (PubChem CID 178174246) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene.

Molecular Properties

Compound Name6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene
PubChem CID178174246
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene
SMILESClc1ccc(COc2cccc(C3=CC4(CNC4)C3)n2)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O/c19-14-5-4-12(15(20)6-14)9-23-17-3-1-2-16(22-17)13-7-18(8-13)10-21-11-18/h1-7,21H,8-11H2
InChIKeySGBBJFHUEWNDRO-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[(2,4-dichlorophenyl)methoxy]pyridine
CID 121012693
2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 150865455
1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[7-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.5]non-6-en-2-yl]thieno[2,3-d]imidazole-5-carboxylic acid
CID 178174284
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
CID 107745761
7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 167020774
2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
CID 178143871
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
5-[(2,4-dichlorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 7385182
4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine
CID 166089342
2-[(2,4-dichlorophenyl)methoxy]furan
CID 170647412

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene?
The IUPAC name of 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene (CID 178174246) is 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene.
What is the SMILES notation for 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene?
The canonical SMILES for 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene is Clc1ccc(COc2cccc(C3=CC4(CNC4)C3)n2)c(Cl)c1.
What is the InChIKey of 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene?
The InChIKey is SGBBJFHUEWNDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-14-5-4-12(15(20)6-14)9-23-17-3-1-2-16(22-17)13-7-18(8-13)10-21-11-18/h1-7,21H,8-11H2.
What are the key properties of 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene?
6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene has a molecular weight of 347.25 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-azaspiro[3.3]hept-6-ene is sourced from PubChem (CID 178174246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).