2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one

C19H22N4O3 — CID 87054570

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one
SMILESCCn1c(=O)c(NCCc2ccc(OC)c(OC)c2)nc2ccncc21
InChIInChI=1S/C19H22N4O3/c1-4-23-15-12-20-9-8-14(15)22-18(19(23)24)21-10-7-13-5-6-16(25-2)17(11-13)26-3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,21,22)
InChIKeyOCCKGOYUPRKXKG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.48
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one

2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one (PubChem CID 87054570) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one
PubChem CID87054570
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one
SMILESCCn1c(=O)c(NCCc2ccc(OC)c(OC)c2)nc2ccncc21
InChIInChI=1S/C19H22N4O3/c1-4-23-15-12-20-9-8-14(15)22-18(19(23)24)21-10-7-13-5-6-16(25-2)17(11-13)26-3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,21,22)
InChIKeyOCCKGOYUPRKXKG-UHFFFAOYSA-N
XLogP2.48
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one
CID 53194637
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
8-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hexyl-3,7-dimethylpurine-2,6-dione
CID 155809306
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
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CID 54683802
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
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1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337598
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one (CID 87054570) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one is CCn1c(=O)c(NCCc2ccc(OC)c(OC)c2)nc2ccncc21.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one?
The InChIKey is OCCKGOYUPRKXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-23-15-12-20-9-8-14(15)22-18(19(23)24)21-10-7-13-5-6-16(25-2)17(11-13)26-3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one has a molecular weight of 354.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-ethylpyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).