2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide

C14H16N2O3 — CID 172902930

IUPAC2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCCn1c(C(=O)NC)cc2cc(OC)ccc2c1=O
InChIInChI=1S/C14H16N2O3/c1-4-16-12(13(17)15-2)8-9-7-10(19-3)5-6-11(9)14(16)18/h5-8H,4H2,1-3H3,(H,15,17)
InChIKeyZGSWBUWXOCBKGU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.39
Rot. Bonds3

About 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide

2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 172902930) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID172902930
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCCn1c(C(=O)NC)cc2cc(OC)ccc2c1=O
InChIInChI=1S/C14H16N2O3/c1-4-16-12(13(17)15-2)8-9-7-10(19-3)5-6-11(9)14(16)18/h5-8H,4H2,1-3H3,(H,15,17)
InChIKeyZGSWBUWXOCBKGU-UHFFFAOYSA-N
XLogP1.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
6-methoxy-1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 175651448
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651492
6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide
CID 175651711
2,6-dimethoxy-1-oxo-N-prop-2-ynylisoquinoline-3-carboxamide
CID 172905283
2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
CID 171700993
N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905235
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804
6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 171998675
N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905239
2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172903255
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide (CID 172902930) is 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide is CCn1c(C(=O)NC)cc2cc(OC)ccc2c1=O.
What is the InChIKey of 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is ZGSWBUWXOCBKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-16-12(13(17)15-2)8-9-7-10(19-3)5-6-11(9)14(16)18/h5-8H,4H2,1-3H3,(H,15,17).
What are the key properties of 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide?
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172902930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).