5-(6-chloroquinolin-2-yl)-1,4-oxazepane

C14H15ClN2O — CID 82666507

IUPAC5-(6-chloroquinolin-2-yl)-1,4-oxazepane
SMILESClc1ccc2nc(C3CCOCCN3)ccc2c1
InChIInChI=1S/C14H15ClN2O/c15-11-2-4-12-10(9-11)1-3-14(17-12)13-5-7-18-8-6-16-13/h1-4,9,13,16H,5-8H2
InChIKeyAFYAMPZOSHHMNV-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.94
Rot. Bonds1

About 5-(6-chloroquinolin-2-yl)-1,4-oxazepane

5-(6-chloroquinolin-2-yl)-1,4-oxazepane (PubChem CID 82666507) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(6-chloroquinolin-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name5-(6-chloroquinolin-2-yl)-1,4-oxazepane
PubChem CID82666507
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-(6-chloroquinolin-2-yl)-1,4-oxazepane
SMILESClc1ccc2nc(C3CCOCCN3)ccc2c1
InChIInChI=1S/C14H15ClN2O/c15-11-2-4-12-10(9-11)1-3-14(17-12)13-5-7-18-8-6-16-13/h1-4,9,13,16H,5-8H2
InChIKeyAFYAMPZOSHHMNV-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-chloroquinolin-2-yl)-1,4-oxazepane
CID 82666508
3-(6-methylquinolin-2-yl)-1,4-oxazepane
CID 82664302
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
CID 130706269
2-(azetidin-2-yl)quinoline
CID 55292668
(3R)-3-(4-chloro-2-pyridinyl)morpholine
CID 55274558
(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride
CID 171192924
3-(2,5-dichlorophenyl)morpholine
CID 126971180
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
6-ethenyl-2-(oxan-4-yl)quinoline
CID 170708021
4-(1,4-oxazepan-5-yl)quinolin-6-ol
CID 82664629
5-chloro-2-morpholin-3-ylphenol
CID 82613253
5-(6-methylquinolin-4-yl)-1,4-oxazepane
CID 82664296

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloroquinolin-2-yl)-1,4-oxazepane?
The IUPAC name of 5-(6-chloroquinolin-2-yl)-1,4-oxazepane (CID 82666507) is 5-(6-chloroquinolin-2-yl)-1,4-oxazepane.
What is the SMILES notation for 5-(6-chloroquinolin-2-yl)-1,4-oxazepane?
The canonical SMILES for 5-(6-chloroquinolin-2-yl)-1,4-oxazepane is Clc1ccc2nc(C3CCOCCN3)ccc2c1.
What is the InChIKey of 5-(6-chloroquinolin-2-yl)-1,4-oxazepane?
The InChIKey is AFYAMPZOSHHMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-11-2-4-12-10(9-11)1-3-14(17-12)13-5-7-18-8-6-16-13/h1-4,9,13,16H,5-8H2.
What are the key properties of 5-(6-chloroquinolin-2-yl)-1,4-oxazepane?
5-(6-chloroquinolin-2-yl)-1,4-oxazepane has a molecular weight of 262.74 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloroquinolin-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82666507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).