N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide

C14H16N2O4 — CID 67984550

IUPACN,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide
SMILESCCN(CC)C(=O)C1C(=O)N(O)C(=O)c2ccccc21
InChIInChI=1S/C14H16N2O4/c1-3-15(4-2)13(18)11-9-7-5-6-8-10(9)12(17)16(20)14(11)19/h5-8,11,20H,3-4H2,1-2H3
InChIKeyGOLURYKRTMKNAI-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.01
Rot. Bonds3

About N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide

N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide (PubChem CID 67984550) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide
PubChem CID67984550
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide
SMILESCCN(CC)C(=O)C1C(=O)N(O)C(=O)c2ccccc21
InChIInChI=1S/C14H16N2O4/c1-3-15(4-2)13(18)11-9-7-5-6-8-10(9)12(17)16(20)14(11)19/h5-8,11,20H,3-4H2,1-2H3
InChIKeyGOLURYKRTMKNAI-UHFFFAOYSA-N
XLogP1.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The IUPAC name of N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide (CID 67984550) is N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide is CCN(CC)C(=O)C1C(=O)N(O)C(=O)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The InChIKey is GOLURYKRTMKNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-15(4-2)13(18)11-9-7-5-6-8-10(9)12(17)16(20)14(11)19/h5-8,11,20H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide?
N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide is sourced from PubChem (CID 67984550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).