1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone

C18H21N3O2 — CID 167822126

IUPAC1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone
SMILESCN1CCN(C(=O)COCCc2ccccc2)c2cnccc21
InChIInChI=1S/C18H21N3O2/c1-20-10-11-21(17-13-19-9-7-16(17)20)18(22)14-23-12-8-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12,14H2,1H3
InChIKeyBPTWJSQYRLOUPF-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.12
Rot. Bonds5

About 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone

1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone (PubChem CID 167822126) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone
PubChem CID167822126
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone
SMILESCN1CCN(C(=O)COCCc2ccccc2)c2cnccc21
InChIInChI=1S/C18H21N3O2/c1-20-10-11-21(17-13-19-9-7-16(17)20)18(22)14-23-12-8-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12,14H2,1H3
InChIKeyBPTWJSQYRLOUPF-UHFFFAOYSA-N
XLogP2.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid
CID 63778022
4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
CID 119168410
2-(7-ethyl-1H-indol-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)ethanone
CID 166231825
3-(3-but-3-ynyldiazirin-3-yl)-1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)propan-1-one
CID 167962924
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-phenoxyethanone
CID 136526912
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 136532225
(2R,3R)-2-methyl-1-[2-(2-phenylethoxy)acetyl]piperidine-3-carboxylic acid
CID 122115714
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
CID 119176089
1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone
CID 56778787
4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone (CID 167822126) is 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone is CN1CCN(C(=O)COCCc2ccccc2)c2cnccc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone?
The InChIKey is BPTWJSQYRLOUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-10-11-21(17-13-19-9-7-16(17)20)18(22)14-23-12-8-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12,14H2,1H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone?
1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone has a molecular weight of 311.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone is sourced from PubChem (CID 167822126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).