(3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one

C19H22N2O2 — CID 97022561

IUPAC(3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one
SMILESC[C@H]1C(=O)Nc2ccccc2N1CCCCOc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-15-19(22)20-17-11-5-6-12-18(17)21(15)13-7-8-14-23-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyUOVYPVWWQMMKHG-HNNXBMFYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds6

About (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one

(3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 97022561) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one
PubChem CID97022561
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one
SMILESC[C@H]1C(=O)Nc2ccccc2N1CCCCOc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-15-19(22)20-17-11-5-6-12-18(17)21(15)13-7-8-14-23-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyUOVYPVWWQMMKHG-HNNXBMFYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70714136
3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate
CID 167019129
(3S,8aS)-3-methyl-2-(3-phenoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 164689519
3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64887135
[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate
CID 7100438
5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione
CID 72893219
1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 75495669
N-(9,10-dioxoanthracen-2-yl)-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide
CID 96522220
(3S)-4-(3-chloropropanoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 155924384
3,3-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline
CID 82156784
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
CID 86593353

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one (CID 97022561) is (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one is C[C@H]1C(=O)Nc2ccccc2N1CCCCOc1ccccc1.
What is the InChIKey of (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is UOVYPVWWQMMKHG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-19(22)20-17-11-5-6-12-18(17)21(15)13-7-8-14-23-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one?
(3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 97022561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).