5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one

C21H22N4O3 — CID 154972487

IUPAC5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc3c(c(OCc4cnccn4)c2)NC(O)CC3)cn(C)c1=O
InChIInChI=1S/C21H22N4O3/c1-13-7-16(11-25(2)21(13)27)15-8-14-3-4-19(26)24-20(14)18(9-15)28-12-17-10-22-5-6-23-17/h5-11,19,24,26H,3-4,12H2,1-2H3
InChIKeyAZJNDUAOCDCHFF-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.41
Rot. Bonds4

About 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one

5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 154972487) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID154972487
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc3c(c(OCc4cnccn4)c2)NC(O)CC3)cn(C)c1=O
InChIInChI=1S/C21H22N4O3/c1-13-7-16(11-25(2)21(13)27)15-8-14-3-4-19(26)24-20(14)18(9-15)28-12-17-10-22-5-6-23-17/h5-11,19,24,26H,3-4,12H2,1-2H3
InChIKeyAZJNDUAOCDCHFF-UHFFFAOYSA-N
XLogP2.41
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one (CID 154972487) is 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc3c(c(OCc4cnccn4)c2)NC(O)CC3)cn(C)c1=O.
What is the InChIKey of 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is AZJNDUAOCDCHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-7-16(11-25(2)21(13)27)15-8-14-3-4-19(26)24-20(14)18(9-15)28-12-17-10-22-5-6-23-17/h5-11,19,24,26H,3-4,12H2,1-2H3.
What are the key properties of 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one?
5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 154972487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).