N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide

C24H20N2O2 — CID 52822289

IUPACN-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
SMILESO=C(NCCOc1ccccc1-c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C24H20N2O2/c27-24(23-21-12-5-4-10-19(21)14-15-25-23)26-16-17-28-22-13-7-6-11-20(22)18-8-2-1-3-9-18/h1-15H,16-17H2,(H,26,27)
InChIKeySUMSDYJBYRWCCK-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.71
Rot. Bonds6

About N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide

N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide (PubChem CID 52822289) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
PubChem CID52822289
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
SMILESO=C(NCCOc1ccccc1-c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C24H20N2O2/c27-24(23-21-12-5-4-10-19(21)14-15-25-23)26-16-17-28-22-13-7-6-11-20(22)18-8-2-1-3-9-18/h1-15H,16-17H2,(H,26,27)
InChIKeySUMSDYJBYRWCCK-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 2994239
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
CID 119069013
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
N-(6-bromohexyl)isoquinoline-1-carboxamide
CID 107847868
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
N-(cyclohexylmethyl)isoquinoline-1-carboxamide
CID 1438626
N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 52876890
1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
CID 111337309
(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
CID 94817504

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide (CID 52822289) is N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide is O=C(NCCOc1ccccc1-c1ccccc1)c1nccc2ccccc12.
What is the InChIKey of N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide?
The InChIKey is SUMSDYJBYRWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(23-21-12-5-4-10-19(21)14-15-25-23)26-16-17-28-22-13-7-6-11-20(22)18-8-2-1-3-9-18/h1-15H,16-17H2,(H,26,27).
What are the key properties of N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide?
N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 52822289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).