(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone

C18H21N3O3 — CID 177077672

IUPAC(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C3COC3)CC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O3/c1-23-17-10-15(14-4-2-3-5-16(14)19-17)18(22)21-8-6-20(7-9-21)13-11-24-12-13/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyFEUOKHZGRFDTBD-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.40
Rot. Bonds3

About (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone

(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone (PubChem CID 177077672) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
PubChem CID177077672
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C3COC3)CC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O3/c1-23-17-10-15(14-4-2-3-5-16(14)19-17)18(22)21-8-6-20(7-9-21)13-11-24-12-13/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyFEUOKHZGRFDTBD-UHFFFAOYSA-N
XLogP1.40
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-methoxyquinolin-4-yl)methanone
CID 134701449
(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553897
(2-methoxyquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135105873
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 136553678
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 119068199
(2,2-dimethyl-1,4-oxazepan-4-yl)-(2-methoxyquinolin-4-yl)methanone
CID 138034545
2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 50973940
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 70746098
[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 134711872

Frequently Asked Questions

What is the IUPAC name of (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone (CID 177077672) is (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C3COC3)CC2)c2ccccc2n1.
What is the InChIKey of (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone?
The InChIKey is FEUOKHZGRFDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-17-10-15(14-4-2-3-5-16(14)19-17)18(22)21-8-6-20(7-9-21)13-11-24-12-13/h2-5,10,13H,6-9,11-12H2,1H3.
What are the key properties of (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone?
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 177077672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).