4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C17H24N2O — CID 81218135

IUPAC4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESc1cc2c(cc1N1CCOC3CCCCC31)CCCN2
InChIInChI=1S/C17H24N2O/c1-2-6-17-16(5-1)19(10-11-20-17)14-7-8-15-13(12-14)4-3-9-18-15/h7-8,12,16-18H,1-6,9-11H2
InChIKeyLTSUBNRFNIULIO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.19
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 81218135) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID81218135
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESc1cc2c(cc1N1CCOC3CCCCC31)CCCN2
InChIInChI=1S/C17H24N2O/c1-2-6-17-16(5-1)19(10-11-20-17)14-7-8-15-13(12-14)4-3-9-18-15/h7-8,12,16-18H,1-6,9-11H2
InChIKeyLTSUBNRFNIULIO-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 81218135) is 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is c1cc2c(cc1N1CCOC3CCCCC31)CCCN2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is LTSUBNRFNIULIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-6-17-16(5-1)19(10-11-20-17)14-7-8-15-13(12-14)4-3-9-18-15/h7-8,12,16-18H,1-6,9-11H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 272.39 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 81218135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).