N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide

C13H14N2O3 — CID 171704849

IUPACN-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide
SMILESCCNC(=O)c1cc2ccccc2c(=O)n1OC
InChIInChI=1S/C13H14N2O3/c1-3-14-12(16)11-8-9-6-4-5-7-10(9)13(17)15(11)18-2/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeySKGMNOJHDDMXTH-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.81
Rot. Bonds3

About N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide

N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide (PubChem CID 171704849) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide
PubChem CID171704849
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide
SMILESCCNC(=O)c1cc2ccccc2c(=O)n1OC
InChIInChI=1S/C13H14N2O3/c1-3-14-12(16)11-8-9-6-4-5-7-10(9)13(17)15(11)18-2/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeySKGMNOJHDDMXTH-UHFFFAOYSA-N
XLogP0.81
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide (CID 171704849) is N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide is CCNC(=O)c1cc2ccccc2c(=O)n1OC.
What is the InChIKey of N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide?
The InChIKey is SKGMNOJHDDMXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-14-12(16)11-8-9-6-4-5-7-10(9)13(17)15(11)18-2/h4-8H,3H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide?
N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 171704849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).