(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone

C18H22N4O2 — CID 122250593

IUPAC(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CC(Oc3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C18H22N4O2/c1-20-8-10-21(11-9-20)18(23)22-12-15(13-22)24-17-7-6-14-4-2-3-5-16(14)19-17/h2-7,15H,8-13H2,1H3
InChIKeyVYIKGQQSVFVWBW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.67
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone

(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone (PubChem CID 122250593) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
PubChem CID122250593
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CC(Oc3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C18H22N4O2/c1-20-8-10-21(11-9-20)18(23)22-12-15(13-22)24-17-7-6-14-4-2-3-5-16(14)19-17/h2-7,15H,8-13H2,1H3
InChIKeyVYIKGQQSVFVWBW-UHFFFAOYSA-N
XLogP1.67
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
(2-fluorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250299
N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250544
ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate
CID 122250271
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203
N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250579
1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250187
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone (CID 122250593) is (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone is CN1CCN(C(=O)N2CC(Oc3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The InChIKey is VYIKGQQSVFVWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-8-10-21(11-9-20)18(23)22-12-15(13-22)24-17-7-6-14-4-2-3-5-16(14)19-17/h2-7,15H,8-13H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 122250593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).