(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane

C20H22N4O — CID 124957727

IUPAC(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane
SMILESc1ccc2c(CN3CCOC[C@H](Cc4cnccn4)C3)ccnc2c1
InChIInChI=1S/C20H22N4O/c1-2-4-20-19(3-1)17(5-6-23-20)14-24-9-10-25-15-16(13-24)11-18-12-21-7-8-22-18/h1-8,12,16H,9-11,13-15H2/t16-/m1/s1
InChIKeyGAXWDSWTKNCNKW-MRXNPFEDSA-N
MW334.42 g/mol
LogP2.72
Rot. Bonds4

About (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane

(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane (PubChem CID 124957727) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane
PubChem CID124957727
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane
SMILESc1ccc2c(CN3CCOC[C@H](Cc4cnccn4)C3)ccnc2c1
InChIInChI=1S/C20H22N4O/c1-2-4-20-19(3-1)17(5-6-23-20)14-24-9-10-25-15-16(13-24)11-18-12-21-7-8-22-18/h1-8,12,16H,9-11,13-15H2/t16-/m1/s1
InChIKeyGAXWDSWTKNCNKW-MRXNPFEDSA-N
XLogP2.72
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155501090
(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 95846087
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 124948146
4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 110130952
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
CID 81213273
(6S)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6-(quinolin-3-ylmethyl)-1,4-oxazepane
CID 124968385
(6S)-6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-4-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1,4-oxazepane
CID 124964887
1-[4-(quinolin-4-ylmethyl)morpholin-2-yl]ethanamine
CID 115314848
N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
CID 79670534
(6R)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125014235
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
CID 110105436

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane?
The IUPAC name of (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane (CID 124957727) is (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane is c1ccc2c(CN3CCOC[C@H](Cc4cnccn4)C3)ccnc2c1.
What is the InChIKey of (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane?
The InChIKey is GAXWDSWTKNCNKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-4-20-19(3-1)17(5-6-23-20)14-24-9-10-25-15-16(13-24)11-18-12-21-7-8-22-18/h1-8,12,16H,9-11,13-15H2/t16-/m1/s1.
What are the key properties of (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane?
(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane has a molecular weight of 334.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 124957727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).