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

C15H18N2O — CID 82664302

IUPAC3-(6-methylquinolin-2-yl)-1,4-oxazepane
SMILESCc1ccc2nc(C3COCCCN3)ccc2c1
InChIInChI=1S/C15H18N2O/c1-11-3-5-13-12(9-11)4-6-14(17-13)15-10-18-8-2-7-16-15/h3-6,9,15-16H,2,7-8,10H2,1H3
InChIKeyGTBCDLHOLGWZJX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.59
Rot. Bonds1

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

3-(6-methylquinolin-2-yl)-1,4-oxazepane (PubChem CID 82664302) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(6-methylquinolin-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name3-(6-methylquinolin-2-yl)-1,4-oxazepane
PubChem CID82664302
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(6-methylquinolin-2-yl)-1,4-oxazepane
SMILESCc1ccc2nc(C3COCCCN3)ccc2c1
InChIInChI=1S/C15H18N2O/c1-11-3-5-13-12(9-11)4-6-14(17-13)15-10-18-8-2-7-16-15/h3-6,9,15-16H,2,7-8,10H2,1H3
InChIKeyGTBCDLHOLGWZJX-UHFFFAOYSA-N
XLogP2.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.59
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-(6-methylnaphthalen-2-yl)morpholine
CID 116963155
5-(6-chloroquinolin-2-yl)-1,4-oxazepane
CID 82666507
6-methylquinolin-2-amine;morpholine
CID 174712128
3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane
CID 82621367
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
CID 130706269
5-(7-chloroquinolin-2-yl)-1,4-oxazepane
CID 82666508
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
3-(6-chloroquinolin-4-yl)-1,4-oxazepane
CID 82666518
2-(4-fluorophenyl)-6-methylquinoline
CID 13224215
(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 96626970

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylquinolin-2-yl)-1,4-oxazepane?
The IUPAC name of 3-(6-methylquinolin-2-yl)-1,4-oxazepane (CID 82664302) is 3-(6-methylquinolin-2-yl)-1,4-oxazepane.
What is the SMILES notation for 3-(6-methylquinolin-2-yl)-1,4-oxazepane?
The canonical SMILES for 3-(6-methylquinolin-2-yl)-1,4-oxazepane is Cc1ccc2nc(C3COCCCN3)ccc2c1.
What is the InChIKey of 3-(6-methylquinolin-2-yl)-1,4-oxazepane?
The InChIKey is GTBCDLHOLGWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-3-5-13-12(9-11)4-6-14(17-13)15-10-18-8-2-7-16-15/h3-6,9,15-16H,2,7-8,10H2,1H3.
What are the key properties of 3-(6-methylquinolin-2-yl)-1,4-oxazepane?
3-(6-methylquinolin-2-yl)-1,4-oxazepane has a molecular weight of 242.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylquinolin-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82664302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).