2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline

C20H23N5O — CID 172892521

IUPAC2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline
SMILESCOc1cccc(CN2CCN(c3cnc4ccccc4n3)CC2C)n1
InChIInChI=1S/C20H23N5O/c1-15-13-25(19-12-21-17-7-3-4-8-18(17)23-19)11-10-24(15)14-16-6-5-9-20(22-16)26-2/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyNPGMBOABKXBAPO-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.74
Rot. Bonds4

About 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline

2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline (PubChem CID 172892521) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline
PubChem CID172892521
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline
SMILESCOc1cccc(CN2CCN(c3cnc4ccccc4n3)CC2C)n1
InChIInChI=1S/C20H23N5O/c1-15-13-25(19-12-21-17-7-3-4-8-18(17)23-19)11-10-24(15)14-16-6-5-9-20(22-16)26-2/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyNPGMBOABKXBAPO-UHFFFAOYSA-N
XLogP2.74
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
CID 98763653
3-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 172901321
6-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172892401
4-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 175650476
2-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 172903088
5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 172900745
5-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
CID 64841716
1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870564
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-6-methoxypyridine
CID 80690069
3-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 63984159

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline (CID 172892521) is 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline is COc1cccc(CN2CCN(c3cnc4ccccc4n3)CC2C)n1.
What is the InChIKey of 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline?
The InChIKey is NPGMBOABKXBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-13-25(19-12-21-17-7-3-4-8-18(17)23-19)11-10-24(15)14-16-6-5-9-20(22-16)26-2/h3-9,12,15H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline?
2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline has a molecular weight of 349.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline is sourced from PubChem (CID 172892521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).