(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C20H21N5O — CID 18145987

IUPAC(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CCN(c4cnccn4)CC3)c2c1
InChIInChI=1S/C20H21N5O/c1-14-3-4-18-16(11-14)17(12-15(2)23-18)20(26)25-9-7-24(8-10-25)19-13-21-5-6-22-19/h3-6,11-13H,7-10H2,1-2H3
InChIKeyFHTNOTDKENNMBA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.60
Rot. Bonds2

About (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 18145987) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID18145987
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CCN(c4cnccn4)CC3)c2c1
InChIInChI=1S/C20H21N5O/c1-14-3-4-18-16(11-14)17(12-15(2)23-18)20(26)25-9-7-24(8-10-25)19-13-21-5-6-22-19/h3-6,11-13H,7-10H2,1-2H3
InChIKeyFHTNOTDKENNMBA-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethylquinolin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024395
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
(2,6-dimethylquinolin-4-yl)-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone
CID 70754256
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32646366
[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 46995479
(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone
CID 73419376

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 18145987) is (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1ccc2nc(C)cc(C(=O)N3CCN(c4cnccn4)CC3)c2c1.
What is the InChIKey of (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FHTNOTDKENNMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-3-4-18-16(11-14)17(12-15(2)23-18)20(26)25-9-7-24(8-10-25)19-13-21-5-6-22-19/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 18145987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).