N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide

C20H20N2O3 — CID 22334687

IUPACN-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-4-25-18-12-8-7-11-17(18)22(3)20(24)16-13-21(2)19(23)15-10-6-5-9-14(15)16/h5-13H,4H2,1-3H3
InChIKeyIYOQIIBUWQPBTA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.21
Rot. Bonds4

About N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide

N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22334687) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22334687
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-4-25-18-12-8-7-11-17(18)22(3)20(24)16-13-21(2)19(23)15-10-6-5-9-14(15)16/h5-13H,4H2,1-3H3
InChIKeyIYOQIIBUWQPBTA-UHFFFAOYSA-N
XLogP3.21
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide (CID 22334687) is N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide is CCOc1ccccc1N(C)C(=O)c1cn(C)c(=O)c2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is IYOQIIBUWQPBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-25-18-12-8-7-11-17(18)22(3)20(24)16-13-21(2)19(23)15-10-6-5-9-14(15)16/h5-13H,4H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22334687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).