N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide

C25H24N2O4 — CID 78891643

IUPACN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
SMILESO=C1CCc2cc(OCCNC(=O)c3ccc(COc4ccccc4)cc3)ccc2N1
InChIInChI=1S/C25H24N2O4/c28-24-13-10-20-16-22(11-12-23(20)27-24)30-15-14-26-25(29)19-8-6-18(7-9-19)17-31-21-4-2-1-3-5-21/h1-9,11-12,16H,10,13-15,17H2,(H,26,29)(H,27,28)
InChIKeyVDDKTYORIBMGBP-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.96
Rot. Bonds8

About N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide

N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide (PubChem CID 78891643) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
PubChem CID78891643
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
SMILESO=C1CCc2cc(OCCNC(=O)c3ccc(COc4ccccc4)cc3)ccc2N1
InChIInChI=1S/C25H24N2O4/c28-24-13-10-20-16-22(11-12-23(20)27-24)30-15-14-26-25(29)19-8-6-18(7-9-19)17-31-21-4-2-1-3-5-21/h1-9,11-12,16H,10,13-15,17H2,(H,26,29)(H,27,28)
InChIKeyVDDKTYORIBMGBP-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide 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

2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 47043404
2-[(4-fluorophenyl)methoxy]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891950
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide
CID 78891960
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891632
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
1-ethyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-3-(2-phenoxyethyl)guanidine
CID 111004911
2-benzyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1,3-thiazole-4-carboxamide
CID 78892145
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784577

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide (CID 78891643) is N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide is O=C1CCc2cc(OCCNC(=O)c3ccc(COc4ccccc4)cc3)ccc2N1.
What is the InChIKey of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide?
The InChIKey is VDDKTYORIBMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-24-13-10-20-16-22(11-12-23(20)27-24)30-15-14-26-25(29)19-8-6-18(7-9-19)17-31-21-4-2-1-3-5-21/h1-9,11-12,16H,10,13-15,17H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide?
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 78891643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).