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

C27H32N2O4 — CID 71734302

IUPAC8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCOc1ccc(-c2cc(OCCN3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C27H32N2O4/c1-2-16-30-22-9-7-21(8-10-22)25-20-26(23-5-3-4-6-24(23)28-25)31-17-15-29-13-11-27(12-14-29)32-18-19-33-27/h3-10,20H,2,11-19H2,1H3
InChIKeyICLBAZDUNRCWOX-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.91
Rot. Bonds8

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

8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71734302) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71734302
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCOc1ccc(-c2cc(OCCN3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C27H32N2O4/c1-2-16-30-22-9-7-21(8-10-22)25-20-26(23-5-3-4-6-24(23)28-25)31-17-15-29-13-11-27(12-14-29)32-18-19-33-27/h3-10,20H,2,11-19H2,1H3
InChIKeyICLBAZDUNRCWOX-UHFFFAOYSA-N
XLogP4.91
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 71734302) is 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane is CCCOc1ccc(-c2cc(OCCN3CCC4(CC3)OCCO4)c3ccccc3n2)cc1.
What is the InChIKey of 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ICLBAZDUNRCWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-2-16-30-22-9-7-21(8-10-22)25-20-26(23-5-3-4-6-24(23)28-25)31-17-15-29-13-11-27(12-14-29)32-18-19-33-27/h3-10,20H,2,11-19H2,1H3.
What are the key properties of 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 448.56 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71734302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).