5-(6-methylquinolin-4-yl)-1,4-oxazepane

C15H18N2O — CID 82664296

IUPAC5-(6-methylquinolin-4-yl)-1,4-oxazepane
SMILESCc1ccc2nccc(C3CCOCCN3)c2c1
InChIInChI=1S/C15H18N2O/c1-11-2-3-14-13(10-11)12(4-6-16-14)15-5-8-18-9-7-17-15/h2-4,6,10,15,17H,5,7-9H2,1H3
InChIKeyIWBYNVWVKNBMNZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.59
Rot. Bonds1

About 5-(6-methylquinolin-4-yl)-1,4-oxazepane

5-(6-methylquinolin-4-yl)-1,4-oxazepane (PubChem CID 82664296) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(6-methylquinolin-4-yl)-1,4-oxazepane.

Molecular Properties

Compound Name5-(6-methylquinolin-4-yl)-1,4-oxazepane
PubChem CID82664296
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-(6-methylquinolin-4-yl)-1,4-oxazepane
SMILESCc1ccc2nccc(C3CCOCCN3)c2c1
InChIInChI=1S/C15H18N2O/c1-11-2-3-14-13(10-11)12(4-6-16-14)15-5-8-18-9-7-17-15/h2-4,6,10,15,17H,5,7-9H2,1H3
InChIKeyIWBYNVWVKNBMNZ-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

4-(1,4-oxazepan-5-yl)quinolin-6-ol
CID 82664629
3-(6-methylquinolin-4-yl)-1,4-oxazepane
CID 82664305
3-(6-methylquinolin-4-yl)piperazin-2-one
CID 82664178
3-(6-chloroquinolin-4-yl)-1,4-oxazepane
CID 82666518
4-(azepan-2-yl)quinoline
CID 81147055
3-(2-methyl-4-pyridinyl)morpholine
CID 55282770
6-methoxy-4-(4-methylpiperazin-2-yl)quinoline
CID 82665396
4-(1,4-oxazepan-7-yl)quinolin-6-ol
CID 82664621
7-methyl-N-(oxepan-4-yl)isoquinolin-1-amine
CID 167907426
6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 161139788
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
5-(6-chloroquinolin-2-yl)-1,4-oxazepane
CID 82666507

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylquinolin-4-yl)-1,4-oxazepane?
The IUPAC name of 5-(6-methylquinolin-4-yl)-1,4-oxazepane (CID 82664296) is 5-(6-methylquinolin-4-yl)-1,4-oxazepane.
What is the SMILES notation for 5-(6-methylquinolin-4-yl)-1,4-oxazepane?
The canonical SMILES for 5-(6-methylquinolin-4-yl)-1,4-oxazepane is Cc1ccc2nccc(C3CCOCCN3)c2c1.
What is the InChIKey of 5-(6-methylquinolin-4-yl)-1,4-oxazepane?
The InChIKey is IWBYNVWVKNBMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-2-3-14-13(10-11)12(4-6-16-14)15-5-8-18-9-7-17-15/h2-4,6,10,15,17H,5,7-9H2,1H3.
What are the key properties of 5-(6-methylquinolin-4-yl)-1,4-oxazepane?
5-(6-methylquinolin-4-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 5-(6-methylquinolin-4-yl)-1,4-oxazepane is sourced from PubChem (CID 82664296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).