N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide

C22H20N2O3 — CID 72890574

IUPACN-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc3oc(C)cc3c2)c2cccnc12
InChIInChI=1S/C22H20N2O3/c1-14-11-17-12-15(6-8-19(17)27-14)22(25)24(2)13-16-7-9-20(26-3)21-18(16)5-4-10-23-21/h4-12H,13H2,1-3H3
InChIKeyVNHZFPFZJDYBLR-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.57
Rot. Bonds4

About N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide

N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide (PubChem CID 72890574) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
PubChem CID72890574
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc3oc(C)cc3c2)c2cccnc12
InChIInChI=1S/C22H20N2O3/c1-14-11-17-12-15(6-8-19(17)27-14)22(25)24(2)13-16-7-9-20(26-3)21-18(16)5-4-10-23-21/h4-12H,13H2,1-3H3
InChIKeyVNHZFPFZJDYBLR-UHFFFAOYSA-N
XLogP4.57
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide (CID 72890574) is N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide is COc1ccc(CN(C)C(=O)c2ccc3oc(C)cc3c2)c2cccnc12.
What is the InChIKey of N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The InChIKey is VNHZFPFZJDYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-11-17-12-15(6-8-19(17)27-14)22(25)24(2)13-16-7-9-20(26-3)21-18(16)5-4-10-23-21/h4-12H,13H2,1-3H3.
What are the key properties of N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 72890574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).