5-(7-chloroquinolin-2-yl)-1,4-oxazepane

C14H15ClN2O — CID 82666508

IUPAC5-(7-chloroquinolin-2-yl)-1,4-oxazepane
SMILESClc1ccc2ccc(C3CCOCCN3)nc2c1
InChIInChI=1S/C14H15ClN2O/c15-11-3-1-10-2-4-13(17-14(10)9-11)12-5-7-18-8-6-16-12/h1-4,9,12,16H,5-8H2
InChIKeyBTCFTMJYZNQAOO-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.94
Rot. Bonds1

About 5-(7-chloroquinolin-2-yl)-1,4-oxazepane

5-(7-chloroquinolin-2-yl)-1,4-oxazepane (PubChem CID 82666508) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(7-chloroquinolin-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name5-(7-chloroquinolin-2-yl)-1,4-oxazepane
PubChem CID82666508
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-(7-chloroquinolin-2-yl)-1,4-oxazepane
SMILESClc1ccc2ccc(C3CCOCCN3)nc2c1
InChIInChI=1S/C14H15ClN2O/c15-11-3-1-10-2-4-13(17-14(10)9-11)12-5-7-18-8-6-16-12/h1-4,9,12,16H,5-8H2
InChIKeyBTCFTMJYZNQAOO-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-(6-chloroquinolin-2-yl)-1,4-oxazepane
CID 82666507
(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
3-(2,5-dichlorophenyl)morpholine
CID 126971180
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
3-(6-methylquinolin-2-yl)-1,4-oxazepane
CID 82664302
5-chloro-2-morpholin-3-ylphenol
CID 82613253
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846768
7-chlorocinnoline
CID 21449408

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloroquinolin-2-yl)-1,4-oxazepane?
The IUPAC name of 5-(7-chloroquinolin-2-yl)-1,4-oxazepane (CID 82666508) is 5-(7-chloroquinolin-2-yl)-1,4-oxazepane.
What is the SMILES notation for 5-(7-chloroquinolin-2-yl)-1,4-oxazepane?
The canonical SMILES for 5-(7-chloroquinolin-2-yl)-1,4-oxazepane is Clc1ccc2ccc(C3CCOCCN3)nc2c1.
What is the InChIKey of 5-(7-chloroquinolin-2-yl)-1,4-oxazepane?
The InChIKey is BTCFTMJYZNQAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-11-3-1-10-2-4-13(17-14(10)9-11)12-5-7-18-8-6-16-12/h1-4,9,12,16H,5-8H2.
What are the key properties of 5-(7-chloroquinolin-2-yl)-1,4-oxazepane?
5-(7-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-(7-chloroquinolin-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82666508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).