8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one

C22H29N3O3 — CID 139342863

IUPAC8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one
SMILESCn1c(=O)cnc2cc(N3CC4CCC(C3)O4)cc(OC3CCCCCC3)c21
InChIInChI=1S/C22H29N3O3/c1-24-21(26)12-23-19-10-15(25-13-17-8-9-18(14-25)27-17)11-20(22(19)24)28-16-6-4-2-3-5-7-16/h10-12,16-18H,2-9,13-14H2,1H3
InChIKeyHBQDESCRXWOJTF-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.40
Rot. Bonds3

About 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one

8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one (PubChem CID 139342863) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one.

Molecular Properties

Compound Name8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one
PubChem CID139342863
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one
SMILESCn1c(=O)cnc2cc(N3CC4CCC(C3)O4)cc(OC3CCCCCC3)c21
InChIInChI=1S/C22H29N3O3/c1-24-21(26)12-23-19-10-15(25-13-17-8-9-18(14-25)27-17)11-20(22(19)24)28-16-6-4-2-3-5-7-16/h10-12,16-18H,2-9,13-14H2,1H3
InChIKeyHBQDESCRXWOJTF-UHFFFAOYSA-N
XLogP3.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one?
The IUPAC name of 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one (CID 139342863) is 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one.
What is the SMILES notation for 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one?
The canonical SMILES for 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one is Cn1c(=O)cnc2cc(N3CC4CCC(C3)O4)cc(OC3CCCCCC3)c21.
What is the InChIKey of 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one?
The InChIKey is HBQDESCRXWOJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-24-21(26)12-23-19-10-15(25-13-17-8-9-18(14-25)27-17)11-20(22(19)24)28-16-6-4-2-3-5-7-16/h10-12,16-18H,2-9,13-14H2,1H3.
What are the key properties of 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one?
8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one has a molecular weight of 383.49 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one is sourced from PubChem (CID 139342863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).