1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one

C21H22N6O — CID 54675306

IUPAC1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one
SMILESCN1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1=O
InChIInChI=1S/C21H22N6O/c1-25-10-11-26(14-19(25)28)21-20(22-8-9-23-21)16-12-27(13-16)18-7-6-15-4-2-3-5-17(15)24-18/h2-9,16H,10-14H2,1H3
InChIKeyOVBGBOJSSVDOSL-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.91
Rot. Bonds3

About 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one

1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one (PubChem CID 54675306) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one
PubChem CID54675306
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one
SMILESCN1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1=O
InChIInChI=1S/C21H22N6O/c1-25-10-11-26(14-19(25)28)21-20(22-8-9-23-21)16-12-27(13-16)18-7-6-15-4-2-3-5-17(15)24-18/h2-9,16H,10-14H2,1H3
InChIKeyOVBGBOJSSVDOSL-UHFFFAOYSA-N
XLogP1.91
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
1-Benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
CID 67251476
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinolin-5-ylurea
CID 71237040
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
CID 820817
1,6-Naphthyridine 28
CID 5330138
1-(Pyrazin-2-yl)-3-(quinolin-4-yl)urea
CID 24772168
2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192864
2-[N-methyl-4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192865
Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 706924
2-[4-(2-Pyrimidinyl)-1-piperazinyl]quinoline
CID 7033665
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-ylquinazoline
CID 872357
N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-pyrazinecarboxamide
CID 5309256

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one (CID 54675306) is 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one is CN1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1=O.
What is the InChIKey of 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one?
The InChIKey is OVBGBOJSSVDOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-25-10-11-26(14-19(25)28)21-20(22-8-9-23-21)16-12-27(13-16)18-7-6-15-4-2-3-5-17(15)24-18/h2-9,16H,10-14H2,1H3.
What are the key properties of 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one?
1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one has a molecular weight of 374.45 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperazin-2-one is sourced from PubChem (CID 54675306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).