N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide

C26H26N2O4 — CID 53125902

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)N2CCCc3ccccc32)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H26N2O4/c1-31-20-14-15-21(23(17-20)32-2)25(29)27-24(19-10-4-3-5-11-19)26(30)28-16-8-12-18-9-6-7-13-22(18)28/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3,(H,27,29)
InChIKeyGURMDJRXZKZXNF-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide (PubChem CID 53125902) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
PubChem CID53125902
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)N2CCCc3ccccc32)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H26N2O4/c1-31-20-14-15-21(23(17-20)32-2)25(29)27-24(19-10-4-3-5-11-19)26(30)28-16-8-12-18-9-6-7-13-22(18)28/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3,(H,27,29)
InChIKeyGURMDJRXZKZXNF-UHFFFAOYSA-N
XLogP4.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide 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-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-methoxyphenyl)acetamide
CID 53125928
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 53125923
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 95091970
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
CID 95092000
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 95091925
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
CID 46383542
2-(3,4-diethoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]acetamide
CID 53125952
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide
CID 95092008
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
CID 93077064
5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
CID 95092006
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide (CID 53125902) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC(C(=O)N2CCCc3ccccc32)c2ccccc2)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide?
The InChIKey is GURMDJRXZKZXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-31-20-14-15-21(23(17-20)32-2)25(29)27-24(19-10-4-3-5-11-19)26(30)28-16-8-12-18-9-6-7-13-22(18)28/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide has a molecular weight of 430.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 53125902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).