3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

C24H26N2O3 — CID 126462370

IUPAC3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCOCCC(=O)NCC1Cc2cc(C)cc(-c3ccc4nc(C)ccc4c3)c2O1
InChIInChI=1S/C24H26N2O3/c1-15-10-19-13-20(14-25-23(27)8-9-28-3)29-24(19)21(11-15)17-6-7-22-18(12-17)5-4-16(2)26-22/h4-7,10-12,20H,8-9,13-14H2,1-3H3,(H,25,27)
InChIKeyIGKGHJUYBZOTHG-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.97
Rot. Bonds6

About 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (PubChem CID 126462370) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
PubChem CID126462370
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCOCCC(=O)NCC1Cc2cc(C)cc(-c3ccc4nc(C)ccc4c3)c2O1
InChIInChI=1S/C24H26N2O3/c1-15-10-19-13-20(14-25-23(27)8-9-28-3)29-24(19)21(11-15)17-6-7-22-18(12-17)5-4-16(2)26-22/h4-7,10-12,20H,8-9,13-14H2,1-3H3,(H,25,27)
InChIKeyIGKGHJUYBZOTHG-UHFFFAOYSA-N
XLogP3.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide with MolForge

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Related Compounds

2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42359609
(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
CID 42407934
N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methoxypropanamide
CID 45186146
methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate
CID 42501902
N-[[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 42484035
N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methoxypropanamide
CID 45171337
4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide
CID 45230098
3-methoxy-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 26399670
methyl 2-[(2R)-5-methyl-2-[[3-(3-methylpyrazol-1-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate
CID 26356547
methyl 2-[(2S)-5-methyl-2-[[(2-methylsulfanylacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate
CID 42372038
N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methoxypropanamide
CID 26345422
N-[[(2S)-5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 42435015

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The IUPAC name of 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (CID 126462370) is 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The canonical SMILES for 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is COCCC(=O)NCC1Cc2cc(C)cc(-c3ccc4nc(C)ccc4c3)c2O1.
What is the InChIKey of 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The InChIKey is IGKGHJUYBZOTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-15-10-19-13-20(14-25-23(27)8-9-28-3)29-24(19)21(11-15)17-6-7-22-18(12-17)5-4-16(2)26-22/h4-7,10-12,20H,8-9,13-14H2,1-3H3,(H,25,27).
What are the key properties of 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide has a molecular weight of 390.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is sourced from PubChem (CID 126462370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).