3-(6-chloroquinolin-4-yl)-1,4-oxazepane

C14H15ClN2O — CID 82666518

IUPAC3-(6-chloroquinolin-4-yl)-1,4-oxazepane
SMILESClc1ccc2nccc(C3COCCCN3)c2c1
InChIInChI=1S/C14H15ClN2O/c15-10-2-3-13-12(8-10)11(4-6-17-13)14-9-18-7-1-5-16-14/h2-4,6,8,14,16H,1,5,7,9H2
InChIKeyYUEQYLABXLAMJH-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.94
Rot. Bonds1

About 3-(6-chloroquinolin-4-yl)-1,4-oxazepane

3-(6-chloroquinolin-4-yl)-1,4-oxazepane (PubChem CID 82666518) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(6-chloroquinolin-4-yl)-1,4-oxazepane.

Molecular Properties

Compound Name3-(6-chloroquinolin-4-yl)-1,4-oxazepane
PubChem CID82666518
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-(6-chloroquinolin-4-yl)-1,4-oxazepane
SMILESClc1ccc2nccc(C3COCCCN3)c2c1
InChIInChI=1S/C14H15ClN2O/c15-10-2-3-13-12(8-10)11(4-6-17-13)14-9-18-7-1-5-16-14/h2-4,6,8,14,16H,1,5,7,9H2
InChIKeyYUEQYLABXLAMJH-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

3-(6-methylquinolin-4-yl)-1,4-oxazepane
CID 82664305
3-(2,5-dichlorophenyl)morpholine
CID 126971180
4-(1,4-oxazepan-5-yl)quinolin-6-ol
CID 82664629
5-(6-methylquinolin-4-yl)-1,4-oxazepane
CID 82664296
(3R)-3-(4-chloro-2-pyridinyl)morpholine
CID 55274558
3-(2-chlorophenyl)-1,4-oxazepane
CID 131296603
5-chloro-2-morpholin-3-ylphenol
CID 82613253
N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide
CID 175704077
3-(3-chloro-4-pyridinyl)morpholine
CID 55273452
3-(6-chloroisoquinolin-8-yl)morpholine
CID 164913113
4-(azepan-2-yl)quinoline
CID 81147055
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroquinolin-4-yl)-1,4-oxazepane?
The IUPAC name of 3-(6-chloroquinolin-4-yl)-1,4-oxazepane (CID 82666518) is 3-(6-chloroquinolin-4-yl)-1,4-oxazepane.
What is the SMILES notation for 3-(6-chloroquinolin-4-yl)-1,4-oxazepane?
The canonical SMILES for 3-(6-chloroquinolin-4-yl)-1,4-oxazepane is Clc1ccc2nccc(C3COCCCN3)c2c1.
What is the InChIKey of 3-(6-chloroquinolin-4-yl)-1,4-oxazepane?
The InChIKey is YUEQYLABXLAMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-10-2-3-13-12(8-10)11(4-6-17-13)14-9-18-7-1-5-16-14/h2-4,6,8,14,16H,1,5,7,9H2.
What are the key properties of 3-(6-chloroquinolin-4-yl)-1,4-oxazepane?
3-(6-chloroquinolin-4-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 3-(6-chloroquinolin-4-yl)-1,4-oxazepane is sourced from PubChem (CID 82666518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).