[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone

C20H23N3O2 — CID 126783382

IUPAC[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C20H23N3O2/c24-20(23-12-4-7-15-5-1-2-9-18(15)23)16-6-3-8-17(13-16)25-19-14-21-10-11-22-19/h3,6,8,10-11,13-15,18H,1-2,4-5,7,9,12H2/t15-,18-/m1/s1
InChIKeyQACLUVOROUXUPC-CRAIPNDOSA-N
MW337.42 g/mol
LogP4.06
Rot. Bonds3

About [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone (PubChem CID 126783382) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
PubChem CID126783382
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C20H23N3O2/c24-20(23-12-4-7-15-5-1-2-9-18(15)23)16-6-3-8-17(13-16)25-19-14-21-10-11-22-19/h3,6,8,10-11,13-15,18H,1-2,4-5,7,9,12H2/t15-,18-/m1/s1
InChIKeyQACLUVOROUXUPC-CRAIPNDOSA-N
XLogP4.06
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265
(2-methylpiperazin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone
CID 119471763
(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
CID 119482802
(2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone
CID 3778135
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 86929912
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17498248
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
N-(2-aminoethyl)-1-(3-pyrazin-2-yloxybenzoyl)piperidine-3-carboxamide
CID 119480783
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 166340156
(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride
CID 119721797
2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid
CID 120517586
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[3-(chloromethyl)phenyl]methanone
CID 43628135

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone?
The IUPAC name of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone (CID 126783382) is [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone.
What is the SMILES notation for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone?
The canonical SMILES for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone is O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone?
The InChIKey is QACLUVOROUXUPC-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(23-12-4-7-15-5-1-2-9-18(15)23)16-6-3-8-17(13-16)25-19-14-21-10-11-22-19/h3,6,8,10-11,13-15,18H,1-2,4-5,7,9,12H2/t15-,18-/m1/s1.
What are the key properties of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone?
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone has a molecular weight of 337.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone is sourced from PubChem (CID 126783382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).