3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one

C13H16N2O2 — CID 62635265

IUPAC3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1ccc2c(c1)CCCN2
InChIInChI=1S/C13H16N2O2/c16-13-15(7-2-8-17-13)11-4-5-12-10(9-11)3-1-6-14-12/h4-5,9,14H,1-3,6-8H2
InChIKeyBNTVVBAOCDOVBD-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.39
Rot. Bonds1

About 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one

3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one (PubChem CID 62635265) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one
PubChem CID62635265
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1ccc2c(c1)CCCN2
InChIInChI=1S/C13H16N2O2/c16-13-15(7-2-8-17-13)11-4-5-12-10(9-11)3-1-6-14-12/h4-5,9,14H,1-3,6-8H2
InChIKeyBNTVVBAOCDOVBD-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one (CID 62635265) is 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one is O=C1OCCCN1c1ccc2c(c1)CCCN2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one?
The InChIKey is BNTVVBAOCDOVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13-15(7-2-8-17-13)11-4-5-12-10(9-11)3-1-6-14-12/h4-5,9,14H,1-3,6-8H2.
What are the key properties of 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one?
3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 62635265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).