N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide

C29H32N2O5 — CID 16926904

IUPACN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C29H32N2O5/c1-4-34-25-17-22(18-26(35-5-2)28(25)36-6-3)29(33)30-23-13-14-24-21(16-23)12-15-27(32)31(24)19-20-10-8-7-9-11-20/h7-11,13-14,16-18H,4-6,12,15,19H2,1-3H3,(H,30,33)
InChIKeyJCCSJFRWQSNFJI-UHFFFAOYSA-N
MW488.58 g/mol
LogP5.61
Rot. Bonds10

About N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide (PubChem CID 16926904) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide
PubChem CID16926904
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C29H32N2O5/c1-4-34-25-17-22(18-26(35-5-2)28(25)36-6-3)29(33)30-23-13-14-24-21(16-23)12-15-27(32)31(24)19-20-10-8-7-9-11-20/h7-11,13-14,16-18H,4-6,12,15,19H2,1-3H3,(H,30,33)
InChIKeyJCCSJFRWQSNFJI-UHFFFAOYSA-N
XLogP5.61
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-4-propan-2-yloxybenzamide
CID 16926847
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 16926877
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
CID 16926889
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
2-ethoxy-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)naphthalene-1-carboxamide
CID 40946935
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
2-ethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)naphthalene-1-carboxamide
CID 16926745
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide (CID 16926904) is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc(OCC)c1OCC.
What is the InChIKey of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide?
The InChIKey is JCCSJFRWQSNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5/c1-4-34-25-17-22(18-26(35-5-2)28(25)36-6-3)29(33)30-23-13-14-24-21(16-23)12-15-27(32)31(24)19-20-10-8-7-9-11-20/h7-11,13-14,16-18H,4-6,12,15,19H2,1-3H3,(H,30,33).
What are the key properties of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide?
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide has a molecular weight of 488.58 g/mol, XLogP of 5.61, 10 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)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 16926904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).