N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide

C26H26N2O5 — CID 16926889

IUPACN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C26H26N2O5/c1-31-22-13-11-20(24(32-2)25(22)33-3)26(30)27-19-10-12-21-18(15-19)9-14-23(29)28(21)16-17-7-5-4-6-8-17/h4-8,10-13,15H,9,14,16H2,1-3H3,(H,27,30)
InChIKeyMLFJCTMZOZBSNV-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.44
Rot. Bonds7

About N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide (PubChem CID 16926889) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
PubChem CID16926889
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C26H26N2O5/c1-31-22-13-11-20(24(32-2)25(22)33-3)26(30)27-19-10-12-21-18(15-19)9-14-23(29)28(21)16-17-7-5-4-6-8-17/h4-8,10-13,15H,9,14,16H2,1-3H3,(H,27,30)
InChIKeyMLFJCTMZOZBSNV-UHFFFAOYSA-N
XLogP4.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide
CID 16926904
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926847
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
CID 30376599
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 16766254
2,6-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926742
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate
CID 90153145

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide (CID 16926889) is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(OC)c1OC.
What is the InChIKey of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide?
The InChIKey is MLFJCTMZOZBSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-31-22-13-11-20(24(32-2)25(22)33-3)26(30)27-19-10-12-21-18(15-19)9-14-23(29)28(21)16-17-7-5-4-6-8-17/h4-8,10-13,15H,9,14,16H2,1-3H3,(H,27,30).
What are the key properties of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide?
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide has a molecular weight of 446.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 16926889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).