N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C26H22N2O4 — CID 42885685

IUPACN-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)NC(c3ccccc3)c3cc4ccccc4o3)ccc2N1
InChIInChI=1S/C26H22N2O4/c29-24-13-10-18-14-20(11-12-21(18)27-24)31-16-25(30)28-26(17-6-2-1-3-7-17)23-15-19-8-4-5-9-22(19)32-23/h1-9,11-12,14-15,26H,10,13,16H2,(H,27,29)(H,28,30)
InChIKeyDXKVZYRUULOMOB-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.60
Rot. Bonds6

About N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 42885685) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID42885685
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)NC(c3ccccc3)c3cc4ccccc4o3)ccc2N1
InChIInChI=1S/C26H22N2O4/c29-24-13-10-18-14-20(11-12-21(18)27-24)31-16-25(30)28-26(17-6-2-1-3-7-17)23-15-19-8-4-5-9-22(19)32-23/h1-9,11-12,14-15,26H,10,13,16H2,(H,27,29)(H,28,30)
InChIKeyDXKVZYRUULOMOB-UHFFFAOYSA-N
XLogP4.60
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]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-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide
CID 155681516
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)-1,2,3,4-tetrahydroquinoline
CID 888386
(2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N-(2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)propanamide
CID 23648392
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 118722639
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide
CID 122183773
N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 6472730
N-[2-(4-benzoyl-1-piperazinyl)phenyl]-1-benzofuran-2-carboxamide
CID 1287918
N-[4-(morpholin-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 783430
N-Dibenzofuran-2-yl-2-[4-(8-methoxy-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
CID 10254802
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 11625642

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 42885685) is N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is O=C1CCc2cc(OCC(=O)NC(c3ccccc3)c3cc4ccccc4o3)ccc2N1.
What is the InChIKey of N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is DXKVZYRUULOMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c29-24-13-10-18-14-20(11-12-21(18)27-24)31-16-25(30)28-26(17-6-2-1-3-7-17)23-15-19-8-4-5-9-22(19)32-23/h1-9,11-12,14-15,26H,10,13,16H2,(H,27,29)(H,28,30).
What are the key properties of N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 426.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(phenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 42885685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).