N-benzyl-N-ethylisoquinoline-8-carboxamide

C19H18N2O — CID 110851851

IUPACN-benzyl-N-ethylisoquinoline-8-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc2ccncc12
InChIInChI=1S/C19H18N2O/c1-2-21(14-15-7-4-3-5-8-15)19(22)17-10-6-9-16-11-12-20-13-18(16)17/h3-13H,2,14H2,1H3
InChIKeyGMWJYLLSIDPCSN-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.90
Rot. Bonds4

About N-benzyl-N-ethylisoquinoline-8-carboxamide

N-benzyl-N-ethylisoquinoline-8-carboxamide (PubChem CID 110851851) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-benzyl-N-ethylisoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethylisoquinoline-8-carboxamide
PubChem CID110851851
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-benzyl-N-ethylisoquinoline-8-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc2ccncc12
InChIInChI=1S/C19H18N2O/c1-2-21(14-15-7-4-3-5-8-15)19(22)17-10-6-9-16-11-12-20-13-18(16)17/h3-13H,2,14H2,1H3
InChIKeyGMWJYLLSIDPCSN-UHFFFAOYSA-N
XLogP3.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylisoquinoline-5-carboxamide
CID 86202974
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
N-benzyl-N-ethyl-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924072
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one
CID 103143337
N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43017642
N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 3286092
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068839
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylisoquinoline-8-carboxamide?
The IUPAC name of N-benzyl-N-ethylisoquinoline-8-carboxamide (CID 110851851) is N-benzyl-N-ethylisoquinoline-8-carboxamide.
What is the SMILES notation for N-benzyl-N-ethylisoquinoline-8-carboxamide?
The canonical SMILES for N-benzyl-N-ethylisoquinoline-8-carboxamide is CCN(Cc1ccccc1)C(=O)c1cccc2ccncc12.
What is the InChIKey of N-benzyl-N-ethylisoquinoline-8-carboxamide?
The InChIKey is GMWJYLLSIDPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-21(14-15-7-4-3-5-8-15)19(22)17-10-6-9-16-11-12-20-13-18(16)17/h3-13H,2,14H2,1H3.
What are the key properties of N-benzyl-N-ethylisoquinoline-8-carboxamide?
N-benzyl-N-ethylisoquinoline-8-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylisoquinoline-8-carboxamide is sourced from PubChem (CID 110851851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).