5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide

C19H18N2O2 — CID 136567436

IUPAC5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3CCCc4cnccc43)cc2c1
InChIInChI=1S/C19H18N2O2/c1-12-5-6-17-14(9-12)10-18(23-17)19(22)21-16-4-2-3-13-11-20-8-7-15(13)16/h5-11,16H,2-4H2,1H3,(H,21,22)
InChIKeyWYSHSSZFLKBKCE-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.94
Rot. Bonds2

About 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide

5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 136567436) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide
PubChem CID136567436
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3CCCc4cnccc43)cc2c1
InChIInChI=1S/C19H18N2O2/c1-12-5-6-17-14(9-12)10-18(23-17)19(22)21-16-4-2-3-13-11-20-8-7-15(13)16/h5-11,16H,2-4H2,1H3,(H,21,22)
InChIKeyWYSHSSZFLKBKCE-UHFFFAOYSA-N
XLogP3.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide (CID 136567436) is 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC3CCCc4cnccc43)cc2c1.
What is the InChIKey of 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WYSHSSZFLKBKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-5-6-17-14(9-12)10-18(23-17)19(22)21-16-4-2-3-13-11-20-8-7-15(13)16/h5-11,16H,2-4H2,1H3,(H,21,22).
What are the key properties of 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide?
5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 136567436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).