6-(quinolin-3-ylmethyl)-1,4-oxazepane

C15H18N2O — CID 73439711

IUPAC6-(quinolin-3-ylmethyl)-1,4-oxazepane
SMILESc1ccc2ncc(CC3CNCCOC3)cc2c1
InChIInChI=1S/C15H18N2O/c1-2-4-15-14(3-1)8-12(10-17-15)7-13-9-16-5-6-18-11-13/h1-4,8,10,13,16H,5-7,9,11H2
InChIKeyDMJSVEXVKXNDFA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.01
Rot. Bonds2

About 6-(quinolin-3-ylmethyl)-1,4-oxazepane

6-(quinolin-3-ylmethyl)-1,4-oxazepane (PubChem CID 73439711) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-(quinolin-3-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name6-(quinolin-3-ylmethyl)-1,4-oxazepane
PubChem CID73439711
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-(quinolin-3-ylmethyl)-1,4-oxazepane
SMILESc1ccc2ncc(CC3CNCCOC3)cc2c1
InChIInChI=1S/C15H18N2O/c1-2-4-15-14(3-1)8-12(10-17-15)7-13-9-16-5-6-18-11-13/h1-4,8,10,13,16H,5-7,9,11H2
InChIKeyDMJSVEXVKXNDFA-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-3-ylmethyl)-1,4-oxazepane?
The IUPAC name of 6-(quinolin-3-ylmethyl)-1,4-oxazepane (CID 73439711) is 6-(quinolin-3-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 6-(quinolin-3-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 6-(quinolin-3-ylmethyl)-1,4-oxazepane is c1ccc2ncc(CC3CNCCOC3)cc2c1.
What is the InChIKey of 6-(quinolin-3-ylmethyl)-1,4-oxazepane?
The InChIKey is DMJSVEXVKXNDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-4-15-14(3-1)8-12(10-17-15)7-13-9-16-5-6-18-11-13/h1-4,8,10,13,16H,5-7,9,11H2.
What are the key properties of 6-(quinolin-3-ylmethyl)-1,4-oxazepane?
6-(quinolin-3-ylmethyl)-1,4-oxazepane has a molecular weight of 242.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-3-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 73439711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).