7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

C20H23NO3 — CID 173251252

IUPAC7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
SMILESCCC1OC(=O)N2c3ccc(OCC4=CCCC=C4)cc3CCC12
InChIInChI=1S/C20H23NO3/c1-2-19-18-10-8-15-12-16(23-13-14-6-4-3-5-7-14)9-11-17(15)21(18)20(22)24-19/h4,6-7,9,11-12,18-19H,2-3,5,8,10,13H2,1H3
InChIKeyXEYNMVMFYZSHSJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.39
Rot. Bonds4

About 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one (PubChem CID 173251252) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one.

Molecular Properties

Compound Name7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
PubChem CID173251252
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
SMILESCCC1OC(=O)N2c3ccc(OCC4=CCCC=C4)cc3CCC12
InChIInChI=1S/C20H23NO3/c1-2-19-18-10-8-15-12-16(23-13-14-6-4-3-5-7-14)9-11-17(15)21(18)20(22)24-19/h4,6-7,9,11-12,18-19H,2-3,5,8,10,13H2,1H3
InChIKeyXEYNMVMFYZSHSJ-UHFFFAOYSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The IUPAC name of 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one (CID 173251252) is 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one.
What is the SMILES notation for 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The canonical SMILES for 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one is CCC1OC(=O)N2c3ccc(OCC4=CCCC=C4)cc3CCC12.
What is the InChIKey of 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The InChIKey is XEYNMVMFYZSHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-19-18-10-8-15-12-16(23-13-14-6-4-3-5-7-14)9-11-17(15)21(18)20(22)24-19/h4,6-7,9,11-12,18-19H,2-3,5,8,10,13H2,1H3.
What are the key properties of 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one has a molecular weight of 325.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexa-1,5-dien-1-ylmethoxy)-3-ethyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one is sourced from PubChem (CID 173251252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).