N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide

C20H17F3N2O3 — CID 60604524

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nccc2ccccc12
InChIInChI=1S/C20H17F3N2O3/c1-27-10-11-28-17-7-6-14(20(21,22)23)12-16(17)25-19(26)18-15-5-3-2-4-13(15)8-9-24-18/h2-9,12H,10-11H2,1H3,(H,25,26)
InChIKeyKUQYZWQPZARQIA-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.53
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide (PubChem CID 60604524) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
PubChem CID60604524
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nccc2ccccc12
InChIInChI=1S/C20H17F3N2O3/c1-27-10-11-28-17-7-6-14(20(21,22)23)12-16(17)25-19(26)18-15-5-3-2-4-13(15)8-9-24-18/h2-9,12H,10-11H2,1H3,(H,25,26)
InChIKeyKUQYZWQPZARQIA-UHFFFAOYSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 29298199
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26177639
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 161309658

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide (CID 60604524) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nccc2ccccc12.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide?
The InChIKey is KUQYZWQPZARQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-27-10-11-28-17-7-6-14(20(21,22)23)12-16(17)25-19(26)18-15-5-3-2-4-13(15)8-9-24-18/h2-9,12H,10-11H2,1H3,(H,25,26).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 60604524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).