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

C14H16N2O3 — CID 54723895

IUPACN,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1[nH]c(=O)c2ccccc2c1O
InChIInChI=1S/C14H16N2O3/c1-3-16(4-2)14(19)11-12(17)9-7-5-6-8-10(9)13(18)15-11/h5-8,17H,3-4H2,1-2H3,(H,15,18)
InChIKeyFRRORDAPUIQMQG-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.72
Rot. Bonds3

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

N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 54723895) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID54723895
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1[nH]c(=O)c2ccccc2c1O
InChIInChI=1S/C14H16N2O3/c1-3-16(4-2)14(19)11-12(17)9-7-5-6-8-10(9)13(18)15-11/h5-8,17H,3-4H2,1-2H3,(H,15,18)
InChIKeyFRRORDAPUIQMQG-UHFFFAOYSA-N
XLogP1.72
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide (CID 54723895) is N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide is CCN(CC)C(=O)c1[nH]c(=O)c2ccccc2c1O.
What is the InChIKey of N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is FRRORDAPUIQMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16(4-2)14(19)11-12(17)9-7-5-6-8-10(9)13(18)15-11/h5-8,17H,3-4H2,1-2H3,(H,15,18).
What are the key properties of N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 54723895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).