3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

C12H13NO3 — CID 140970245

IUPAC3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
SMILESCOC1OC(=O)N2c3ccccc3CCC12
InChIInChI=1S/C12H13NO3/c1-15-11-10-7-6-8-4-2-3-5-9(8)13(10)12(14)16-11/h2-5,10-11H,6-7H2,1H3
InChIKeyFCJBUCGKVASNMT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.93
Rot. Bonds1

About 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one (PubChem CID 140970245) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one.

Molecular Properties

Compound Name3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
PubChem CID140970245
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
SMILESCOC1OC(=O)N2c3ccccc3CCC12
InChIInChI=1S/C12H13NO3/c1-15-11-10-7-6-8-4-2-3-5-9(8)13(10)12(14)16-11/h2-5,10-11H,6-7H2,1H3
InChIKeyFCJBUCGKVASNMT-UHFFFAOYSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The IUPAC name of 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one (CID 140970245) is 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one.
What is the SMILES notation for 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The canonical SMILES for 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one is COC1OC(=O)N2c3ccccc3CCC12.
What is the InChIKey of 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The InChIKey is FCJBUCGKVASNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-11-10-7-6-8-4-2-3-5-9(8)13(10)12(14)16-11/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one has a molecular weight of 219.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one is sourced from PubChem (CID 140970245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).