8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C25H25N3O4 — CID 160647082

IUPAC8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)Cc3ccc(OCc4ccc5ccccc5n4)cc3)CC2)O1
InChIInChI=1S/C25H25N3O4/c29-23(28-13-11-25(12-14-28)17-26-24(30)32-25)15-18-5-9-21(10-6-18)31-16-20-8-7-19-3-1-2-4-22(19)27-20/h1-10H,11-17H2,(H,26,30)
InChIKeyRJXQZYUOPLYASS-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.46
Rot. Bonds5

About 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 160647082) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID160647082
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)Cc3ccc(OCc4ccc5ccccc5n4)cc3)CC2)O1
InChIInChI=1S/C25H25N3O4/c29-23(28-13-11-25(12-14-28)17-26-24(30)32-25)15-18-5-9-21(10-6-18)31-16-20-8-7-19-3-1-2-4-22(19)27-20/h1-10H,11-17H2,(H,26,30)
InChIKeyRJXQZYUOPLYASS-UHFFFAOYSA-N
XLogP3.46
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 160647082) is 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(C(=O)Cc3ccc(OCc4ccc5ccccc5n4)cc3)CC2)O1.
What is the InChIKey of 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RJXQZYUOPLYASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-23(28-13-11-25(12-14-28)17-26-24(30)32-25)15-18-5-9-21(10-6-18)31-16-20-8-7-19-3-1-2-4-22(19)27-20/h1-10H,11-17H2,(H,26,30).
What are the key properties of 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 431.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160647082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).