N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide

C22H20N2O3 — CID 60575299

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2c(=O)[nH]1)C(C)c1cc2ccccc2o1
InChIInChI=1S/C22H20N2O3/c1-3-24(14(2)20-13-16-9-5-7-11-19(16)27-20)22(26)18-12-15-8-4-6-10-17(15)21(25)23-18/h4-14H,3H2,1-2H3,(H,23,25)
InChIKeyCDGYGHFDYHUDNC-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.50
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 60575299) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID60575299
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2c(=O)[nH]1)C(C)c1cc2ccccc2o1
InChIInChI=1S/C22H20N2O3/c1-3-24(14(2)20-13-16-9-5-7-11-19(16)27-20)22(26)18-12-15-8-4-6-10-17(15)21(25)23-18/h4-14H,3H2,1-2H3,(H,23,25)
InChIKeyCDGYGHFDYHUDNC-UHFFFAOYSA-N
XLogP4.50
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide
CID 120625514
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-(methylamino)acetamide
CID 119748635
2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182373
N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 47120487
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654
N-ethyl-1-oxo-N-(thiophen-2-ylmethyl)-2H-isoquinoline-3-carboxamide
CID 33032493
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137291968
4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
CID 94660712
N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide
CID 60743064
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
CID 94486607

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide (CID 60575299) is N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide is CCN(C(=O)c1cc2ccccc2c(=O)[nH]1)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is CDGYGHFDYHUDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-24(14(2)20-13-16-9-5-7-11-19(16)27-20)22(26)18-12-15-8-4-6-10-17(15)21(25)23-18/h4-14H,3H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 60575299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).