3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one

C21H26N2O4 — CID 110331653

IUPAC3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(CCC(=O)N3CCC4(CC3)OCCO4)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H26N2O4/c1-14-11-17-13-16(20(25)22-18(17)12-15(14)2)3-4-19(24)23-7-5-21(6-8-23)26-9-10-27-21/h11-13H,3-10H2,1-2H3,(H,22,25)
InChIKeyWEKIOEQHEZMYCA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.44
Rot. Bonds3

About 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one

3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 110331653) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID110331653
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(CCC(=O)N3CCC4(CC3)OCCO4)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H26N2O4/c1-14-11-17-13-16(20(25)22-18(17)12-15(14)2)3-4-19(24)23-7-5-21(6-8-23)26-9-10-27-21/h11-13H,3-10H2,1-2H3,(H,22,25)
InChIKeyWEKIOEQHEZMYCA-UHFFFAOYSA-N
XLogP2.44
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one (CID 110331653) is 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one is Cc1cc2cc(CCC(=O)N3CCC4(CC3)OCCO4)c(=O)[nH]c2cc1C.
What is the InChIKey of 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is WEKIOEQHEZMYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-11-17-13-16(20(25)22-18(17)12-15(14)2)3-4-19(24)23-7-5-21(6-8-23)26-9-10-27-21/h11-13H,3-10H2,1-2H3,(H,22,25).
What are the key properties of 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 110331653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).