3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate

C19H20N2O4 — CID 167019129

IUPAC3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCCCN2c3ccccc3NC(=O)C2O)cc1
InChIInChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)19(24)25-12-4-11-21-16-6-3-2-5-15(16)20-17(22)18(21)23/h2-3,5-10,18,23H,4,11-12H2,1H3,(H,20,22)
InChIKeyKVPUEFZCHRKNPW-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.32
Rot. Bonds5

About 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate

3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate (PubChem CID 167019129) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate.

Molecular Properties

Compound Name3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate
PubChem CID167019129
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCCCN2c3ccccc3NC(=O)C2O)cc1
InChIInChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)19(24)25-12-4-11-21-16-6-3-2-5-15(16)20-17(22)18(21)23/h2-3,5-10,18,23H,4,11-12H2,1H3,(H,20,22)
InChIKeyKVPUEFZCHRKNPW-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
3-(1,3-dioxoisoindol-2-yl)propyl 4-hydroxybenzoate
CID 31980780
3-(1,3-dioxoisoindol-2-yl)propyl 4-fluorobenzoate
CID 31981087
4-(4-methylbenzoyl)oxybutanoic acid
CID 123794661
[2-[4-[2-(4-methylbenzoyl)oxyacetyl]oxybutoxy]-2-oxoethyl] 4-methylbenzoate
CID 90306797
triacontyl 4-methylbenzoate
CID 151561667
3-methyl-5-(4-methylbenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 20896294
3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl 4-methylbenzoate
CID 10266853
pent-4-enyl 4-methylbenzoate
CID 176964104
3-(1,3-dioxoisoindol-2-yl)propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 22564795
3-(1,3-dioxoisoindol-2-yl)propyl 4-nitrobenzoate
CID 31981429
(4-butoxycarbonylphenyl) 4-(4-methylbenzoyl)benzoate
CID 58757911

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate?
The IUPAC name of 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate (CID 167019129) is 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate.
What is the SMILES notation for 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate?
The canonical SMILES for 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate is Cc1ccc(C(=O)OCCCN2c3ccccc3NC(=O)C2O)cc1.
What is the InChIKey of 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate?
The InChIKey is KVPUEFZCHRKNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)19(24)25-12-4-11-21-16-6-3-2-5-15(16)20-17(22)18(21)23/h2-3,5-10,18,23H,4,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate?
3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-oxo-2,4-dihydroquinoxalin-1-yl)propyl 4-methylbenzoate is sourced from PubChem (CID 167019129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).