8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C16H15N3O3 — CID 127050455

IUPAC8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2nccc(OCCCc3ccccc3)c2[nH]c1=O
InChIInChI=1S/C16H15N3O3/c20-15-16(21)19-14-13(18-15)12(8-9-17-14)22-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,18,20)(H,17,19,21)
InChIKeyFYYWTFFCRNQOIZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.62
Rot. Bonds5

About 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 127050455) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID127050455
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2nccc(OCCCc3ccccc3)c2[nH]c1=O
InChIInChI=1S/C16H15N3O3/c20-15-16(21)19-14-13(18-15)12(8-9-17-14)22-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,18,20)(H,17,19,21)
InChIKeyFYYWTFFCRNQOIZ-UHFFFAOYSA-N
XLogP1.62
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-phenylethoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 127049188
methyl 4-(3-phenylpropoxy)pyridine-3-carboxylate
CID 132587685
8-phenylmethoxy-1H-pyrido[2,3-b]pyrazin-2-one
CID 68606557
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
CID 141329320
5-bromo-4-(3-phenylpropoxy)-1H-pyrimidin-6-one
CID 114676360
1,4,5,8-tetraamino-2,7-bis(3-phenylpropoxy)anthracene-9,10-dione
CID 71319004
1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168379
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride
CID 70213699
3-fluoro-4-(3-phenylpropoxy)aniline
CID 26190137

Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 127050455) is 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2nccc(OCCCc3ccccc3)c2[nH]c1=O.
What is the InChIKey of 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is FYYWTFFCRNQOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15-16(21)19-14-13(18-15)12(8-9-17-14)22-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,18,20)(H,17,19,21).
What are the key properties of 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 297.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylpropoxy)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 127050455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).