8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C22H20Cl2N2O2 — CID 90462752

IUPAC8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1Cl
InChIInChI=1S/C22H20Cl2N2O2/c23-17-6-5-15(13-18(17)24)20-14-21(16-3-1-2-4-19(16)25-20)26-9-7-22(8-10-26)27-11-12-28-22/h1-6,13-14H,7-12H2
InChIKeyTYNCIUKZEZSGKN-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.55
Rot. Bonds2

About 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 90462752) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID90462752
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1Cl
InChIInChI=1S/C22H20Cl2N2O2/c23-17-6-5-15(13-18(17)24)20-14-21(16-3-1-2-4-19(16)25-20)26-9-7-22(8-10-26)27-11-12-28-22/h1-6,13-14H,7-12H2
InChIKeyTYNCIUKZEZSGKN-UHFFFAOYSA-N
XLogP5.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 90462752) is 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is Clc1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1Cl.
What is the InChIKey of 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is TYNCIUKZEZSGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-17-6-5-15(13-18(17)24)20-14-21(16-3-1-2-4-19(16)25-20)26-9-7-22(8-10-26)27-11-12-28-22/h1-6,13-14H,7-12H2.
What are the key properties of 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 415.32 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 90462752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).