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

C17H24N2O — CID 81218136

IUPAC4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESc1cc2c(c(N3CCOC4CCCCC43)c1)CCCN2
InChIInChI=1S/C17H24N2O/c1-2-9-17-16(7-1)19(11-12-20-17)15-8-3-6-14-13(15)5-4-10-18-14/h3,6,8,16-18H,1-2,4-5,7,9-12H2
InChIKeyDBTUJERENQSVAN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.19
Rot. Bonds1

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

4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 81218136) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID81218136
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESc1cc2c(c(N3CCOC4CCCCC43)c1)CCCN2
InChIInChI=1S/C17H24N2O/c1-2-9-17-16(7-1)19(11-12-20-17)15-8-3-6-14-13(15)5-4-10-18-14/h3,6,8,16-18H,1-2,4-5,7,9-12H2
InChIKeyDBTUJERENQSVAN-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

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

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Related Compounds

5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82749910
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214682
4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 81218135
4-(1,2,3,4-tetrahydroquinolin-7-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 81214589
3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 81214470
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide
CID 24705308
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-aminobenzamide
CID 115545609
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
(4aR,8aR)-4-(3-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;hydrochloride
CID 174218235
3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione
CID 103500228
(4aR,8aR)-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 98775699
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 81218136) is 4-(1,2,3,4-tetrahydroquinolin-5-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-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is c1cc2c(c(N3CCOC4CCCCC43)c1)CCCN2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is DBTUJERENQSVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-9-17-16(7-1)19(11-12-20-17)15-8-3-6-14-13(15)5-4-10-18-14/h3,6,8,16-18H,1-2,4-5,7,9-12H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
4-(1,2,3,4-tetrahydroquinolin-5-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-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 81218136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).