4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane

C14H20N2O — CID 62973234

IUPAC4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane
SMILESc1ccc2c(c1)CC(N1CCCOCC1)CN2
InChIInChI=1S/C14H20N2O/c1-2-5-14-12(4-1)10-13(11-15-14)16-6-3-8-17-9-7-16/h1-2,4-5,13,15H,3,6-11H2
InChIKeyNZGCPUGORQIFRL-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.75
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane

4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane (PubChem CID 62973234) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane
PubChem CID62973234
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane
SMILESc1ccc2c(c1)CC(N1CCCOCC1)CN2
InChIInChI=1S/C14H20N2O/c1-2-5-14-12(4-1)10-13(11-15-14)16-6-3-8-17-9-7-16/h1-2,4-5,13,15H,3,6-11H2
InChIKeyNZGCPUGORQIFRL-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.75
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-3-yl)-1,4-oxazepane?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane (CID 62973234) is 4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane is c1ccc2c(c1)CC(N1CCCOCC1)CN2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane?
The InChIKey is NZGCPUGORQIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-5-14-12(4-1)10-13(11-15-14)16-6-3-8-17-9-7-16/h1-2,4-5,13,15H,3,6-11H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane?
4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane has a molecular weight of 232.33 g/mol, XLogP of 1.75, 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-3-yl)-1,4-oxazepane is sourced from PubChem (CID 62973234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).