2-(6-chloroquinolin-3-yl)-1,4-oxazepane

C14H15ClN2O — CID 82666527

IUPAC2-(6-chloroquinolin-3-yl)-1,4-oxazepane
SMILESClc1ccc2ncc(C3CNCCCO3)cc2c1
InChIInChI=1S/C14H15ClN2O/c15-12-2-3-13-10(7-12)6-11(8-17-13)14-9-16-4-1-5-18-14/h2-3,6-8,14,16H,1,4-5,9H2
InChIKeyHLQFQTHSILTIBI-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.94
Rot. Bonds1

About 2-(6-chloroquinolin-3-yl)-1,4-oxazepane

2-(6-chloroquinolin-3-yl)-1,4-oxazepane (PubChem CID 82666527) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(6-chloroquinolin-3-yl)-1,4-oxazepane.

Molecular Properties

Compound Name2-(6-chloroquinolin-3-yl)-1,4-oxazepane
PubChem CID82666527
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(6-chloroquinolin-3-yl)-1,4-oxazepane
SMILESClc1ccc2ncc(C3CNCCCO3)cc2c1
InChIInChI=1S/C14H15ClN2O/c15-12-2-3-13-10(7-12)6-11(8-17-13)14-9-16-4-1-5-18-14/h2-3,6-8,14,16H,1,4-5,9H2
InChIKeyHLQFQTHSILTIBI-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

2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
CID 158805373
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
CID 159619317
(2S)-2-(1-methylpyrazol-4-yl)-1,4-oxazepane
CID 96749778
6-chloroquinoline-3-carboxylic acid
CID 14241492
1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea
CID 174735084
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722
(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone
CID 175592769
2-[3-(trifluoromethyl)phenyl]-1,4-oxazepane
CID 43498386
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroquinolin-3-yl)-1,4-oxazepane?
The IUPAC name of 2-(6-chloroquinolin-3-yl)-1,4-oxazepane (CID 82666527) is 2-(6-chloroquinolin-3-yl)-1,4-oxazepane.
What is the SMILES notation for 2-(6-chloroquinolin-3-yl)-1,4-oxazepane?
The canonical SMILES for 2-(6-chloroquinolin-3-yl)-1,4-oxazepane is Clc1ccc2ncc(C3CNCCCO3)cc2c1.
What is the InChIKey of 2-(6-chloroquinolin-3-yl)-1,4-oxazepane?
The InChIKey is HLQFQTHSILTIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-2-3-13-10(7-12)6-11(8-17-13)14-9-16-4-1-5-18-14/h2-3,6-8,14,16H,1,4-5,9H2.
What are the key properties of 2-(6-chloroquinolin-3-yl)-1,4-oxazepane?
2-(6-chloroquinolin-3-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 2-(6-chloroquinolin-3-yl)-1,4-oxazepane is sourced from PubChem (CID 82666527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).