4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

C18H23N3O3 — CID 124618311

IUPAC4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOCC1=CCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H23N3O3/c1-13(20-9-7-14(8-10-20)12-24-2)18(23)21-11-17(22)19-15-5-3-4-6-16(15)21/h3-7,13H,8-12H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyYDWYRPXPUYYYAP-ZDUSSCGKSA-N
MW329.40 g/mol
LogP1.64
Rot. Bonds4

About 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 124618311) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID124618311
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOCC1=CCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H23N3O3/c1-13(20-9-7-14(8-10-20)12-24-2)18(23)21-11-17(22)19-15-5-3-4-6-16(15)21/h3-7,13H,8-12H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyYDWYRPXPUYYYAP-ZDUSSCGKSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 24682318
4-[(2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95309206
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
CID 8754651
4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 154861557
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
ethyl (3S)-1-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-3-carboxylate
CID 31314657
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 9406687
4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one
CID 107471092
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 124618311) is 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one is COCC1=CCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is YDWYRPXPUYYYAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(20-9-7-14(8-10-20)12-24-2)18(23)21-11-17(22)19-15-5-3-4-6-16(15)21/h3-7,13H,8-12H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 124618311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).