N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide

C22H22N2O2 — CID 170508487

IUPACN-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide
SMILESCNC(=O)Cc1ccc2nc(-c3ccc4c(c3)CC(C)O4)cc(C)c2c1
InChIInChI=1S/C22H22N2O2/c1-13-8-20(16-5-7-21-17(12-16)9-14(2)26-21)24-19-6-4-15(10-18(13)19)11-22(25)23-3/h4-8,10,12,14H,9,11H2,1-3H3,(H,23,25)
InChIKeyQTTVWSMQIYSCAD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.82
Rot. Bonds3

About N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide

N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide (PubChem CID 170508487) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide
PubChem CID170508487
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide
SMILESCNC(=O)Cc1ccc2nc(-c3ccc4c(c3)CC(C)O4)cc(C)c2c1
InChIInChI=1S/C22H22N2O2/c1-13-8-20(16-5-7-21-17(12-16)9-14(2)26-21)24-19-6-4-15(10-18(13)19)11-22(25)23-3/h4-8,10,12,14H,9,11H2,1-3H3,(H,23,25)
InChIKeyQTTVWSMQIYSCAD-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414079
2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169414898
N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide
CID 169411661
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
4-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 81475809
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170511551
2-[2-(6-acetamidoquinolin-2-yl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169416962
2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 54910085
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060754

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide?
The IUPAC name of N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide (CID 170508487) is N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide is CNC(=O)Cc1ccc2nc(-c3ccc4c(c3)CC(C)O4)cc(C)c2c1.
What is the InChIKey of N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide?
The InChIKey is QTTVWSMQIYSCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-13-8-20(16-5-7-21-17(12-16)9-14(2)26-21)24-19-6-4-15(10-18(13)19)11-22(25)23-3/h4-8,10,12,14H,9,11H2,1-3H3,(H,23,25).
What are the key properties of N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide?
N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide is sourced from PubChem (CID 170508487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).