N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide

C24H20N2O4 — CID 24673182

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H20N2O4/c1-2-29-17-11-13-18(14-12-17)30-22-10-6-5-9-20(22)25-24(28)21-15-16-7-3-4-8-19(16)23(27)26-21/h3-15H,2H2,1H3,(H,25,28)(H,26,27)
InChIKeyAATFPBCJTDNOKZ-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.97
Rot. Bonds6

About N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide

N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 24673182) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID24673182
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H20N2O4/c1-2-29-17-11-13-18(14-12-17)30-22-10-6-5-9-20(22)25-24(28)21-15-16-7-3-4-8-19(16)23(27)26-21/h3-15H,2H2,1H3,(H,25,28)(H,26,27)
InChIKeyAATFPBCJTDNOKZ-UHFFFAOYSA-N
XLogP4.97
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693
1-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2H-isoquinoline-3-carboxamide
CID 39948602
N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110295452
N-(2-ethoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207367
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
N-[2-(4-ethoxyphenoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 39971958
N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24673188
N-[2-(4-ethoxyphenoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037548
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 24673182) is N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide is CCOc1ccc(Oc2ccccc2NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is AATFPBCJTDNOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-29-17-11-13-18(14-12-17)30-22-10-6-5-9-20(22)25-24(28)21-15-16-7-3-4-8-19(16)23(27)26-21/h3-15H,2H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 24673182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).