1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone

C25H26N2O4 — CID 3241312

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone
SMILESCCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-29-19-9-7-18(8-10-19)23-17-21(20-5-3-4-6-22(20)26-23)24(28)27-13-11-25(12-14-27)30-15-16-31-25/h3-10,17H,2,11-16H2,1H3
InChIKeyLIMSQZXGNMCDDU-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.28
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone (PubChem CID 3241312) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone
PubChem CID3241312
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone
SMILESCCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-29-19-9-7-18(8-10-19)23-17-21(20-5-3-4-6-22(20)26-23)24(28)27-13-11-25(12-14-27)30-15-16-31-25/h3-10,17H,2,11-16H2,1H3
InChIKeyLIMSQZXGNMCDDU-UHFFFAOYSA-N
XLogP4.28
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone (CID 3241312) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone is CCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone?
The InChIKey is LIMSQZXGNMCDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-29-19-9-7-18(8-10-19)23-17-21(20-5-3-4-6-22(20)26-23)24(28)27-13-11-25(12-14-27)30-15-16-31-25/h3-10,17H,2,11-16H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone has a molecular weight of 418.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 3241312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).