N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide

C21H18N2O2 — CID 70707256

IUPACN,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N(C)Cc3cccc4ncccc34)ccc2o1
InChIInChI=1S/C21H18N2O2/c1-14-11-17-12-15(8-9-20(17)25-14)21(24)23(2)13-16-5-3-7-19-18(16)6-4-10-22-19/h3-12H,13H2,1-2H3
InChIKeyIWHWSKWNJZWESI-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.56
Rot. Bonds3

About N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide

N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide (PubChem CID 70707256) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide
PubChem CID70707256
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N(C)Cc3cccc4ncccc34)ccc2o1
InChIInChI=1S/C21H18N2O2/c1-14-11-17-12-15(8-9-20(17)25-14)21(24)23(2)13-16-5-3-7-19-18(16)6-4-10-22-19/h3-12H,13H2,1-2H3
InChIKeyIWHWSKWNJZWESI-UHFFFAOYSA-N
XLogP4.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide (CID 70707256) is N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)N(C)Cc3cccc4ncccc34)ccc2o1.
What is the InChIKey of N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide?
The InChIKey is IWHWSKWNJZWESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-11-17-12-15(8-9-20(17)25-14)21(24)23(2)13-16-5-3-7-19-18(16)6-4-10-22-19/h3-12H,13H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide?
N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(quinolin-5-ylmethyl)-1-benzofuran-5-carboxamide is sourced from PubChem (CID 70707256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).