N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide

C21H18N2O3 — CID 95744990

IUPACN-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3oc4ccc(C)cc4c3C)cnc2c1
InChIInChI=1S/C21H18N2O3/c1-12-4-7-19-17(8-12)13(2)20(26-19)21(24)23-15-9-14-5-6-16(25-3)10-18(14)22-11-15/h4-11H,1-3H3,(H,23,24)
InChIKeyIOUTWNFZTIEKOO-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.86
Rot. Bonds3

About N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide

N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 95744990) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID95744990
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3oc4ccc(C)cc4c3C)cnc2c1
InChIInChI=1S/C21H18N2O3/c1-12-4-7-19-17(8-12)13(2)20(26-19)21(24)23-15-9-14-5-6-16(25-3)10-18(14)22-11-15/h4-11H,1-3H3,(H,23,24)
InChIKeyIOUTWNFZTIEKOO-UHFFFAOYSA-N
XLogP4.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methoxyquinolin-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 54773926
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-(7-methoxyquinolin-3-yl)-2,5-dimethylbenzamide
CID 95745195
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
N-(7-methoxyquinolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 95744870
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
N-(7-methoxyquinolin-3-yl)-1-methylpyrazole-3-carboxamide
CID 95744911

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 95744990) is N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide is COc1ccc2cc(NC(=O)c3oc4ccc(C)cc4c3C)cnc2c1.
What is the InChIKey of N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is IOUTWNFZTIEKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-12-4-7-19-17(8-12)13(2)20(26-19)21(24)23-15-9-14-5-6-16(25-3)10-18(14)22-11-15/h4-11H,1-3H3,(H,23,24).
What are the key properties of N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxyquinolin-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95744990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).