[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate

C18H16N2O4 — CID 7100438

IUPAC[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2C)cc1
InChIInChI=1S/C18H16N2O4/c1-11-17(22)19-15-5-3-4-6-16(15)20(11)18(23)13-7-9-14(10-8-13)24-12(2)21/h3-11H,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyZXFOHYGXNPCCOH-LLVKDONJSA-N
MW324.34 g/mol
LogP2.60
Rot. Bonds2

About [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate

[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate (PubChem CID 7100438) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate
PubChem CID7100438
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2C)cc1
InChIInChI=1S/C18H16N2O4/c1-11-17(22)19-15-5-3-4-6-16(15)20(11)18(23)13-7-9-14(10-8-13)24-12(2)21/h3-11H,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyZXFOHYGXNPCCOH-LLVKDONJSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 1474244
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
(3S)-4-(3-chloropropanoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 155924384
[4-[(6R)-5-acetyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
CID 7710701
[4-(phenoxazine-10-carbonyl)phenyl] acetate
CID 19931706
(6S)-5-benzoyl-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 1335836
(3S)-3-methyl-4-(4-phenoxybutyl)-1,3-dihydroquinoxalin-2-one
CID 97022561
3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 71867240
(3R)-4-[(3S)-1,1-dioxothiolane-3-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one
CID 100631512
3-methyl-5-(4-methylbenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 20896294
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate?
The IUPAC name of [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate (CID 7100438) is [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate?
The canonical SMILES for [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2C)cc1.
What is the InChIKey of [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate?
The InChIKey is ZXFOHYGXNPCCOH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-17(22)19-15-5-3-4-6-16(15)20(11)18(23)13-7-9-14(10-8-13)24-12(2)21/h3-11H,1-2H3,(H,19,22)/t11-/m1/s1.
What are the key properties of [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate?
[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate has a molecular weight of 324.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 7100438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).