3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

C24H28N2O5 — CID 665151

IUPAC3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc(OCC)c1OCC
InChIInChI=1S/C24H28N2O5/c1-5-29-20-13-17(14-21(30-6-2)22(20)31-7-3)24(28)26(4)15-18-12-16-10-8-9-11-19(16)25-23(18)27/h8-14H,5-7,15H2,1-4H3,(H,25,27)
InChIKeyBQJSWEQFIMDGEW-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.00
Rot. Bonds9

About 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 665151) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID665151
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc(OCC)c1OCC
InChIInChI=1S/C24H28N2O5/c1-5-29-20-13-17(14-21(30-6-2)22(20)31-7-3)24(28)26(4)15-18-12-16-10-8-9-11-19(16)25-23(18)27/h8-14H,5-7,15H2,1-4H3,(H,25,27)
InChIKeyBQJSWEQFIMDGEW-UHFFFAOYSA-N
XLogP4.00
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide with MolForge

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Related Compounds

Trimethobenzamide
CID 5577
Trimethobenzamide Hydrochloride
CID 68385
4-(benzyloxy)-N-((1-(dimethylamino)cyclopentyl)methyl)-3,5-dimethoxybenzamide
CID 5311287
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4,5-Trimethoxybenzanilide
CID 305103
2,3-Dihydro-N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-1,4-benzodioxin-6-carboxamide
CID 8001903
3,4,5-Trimethoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105703
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 665151) is 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is CCOc1cc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is BQJSWEQFIMDGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-5-29-20-13-17(14-21(30-6-2)22(20)31-7-3)24(28)26(4)15-18-12-16-10-8-9-11-19(16)25-23(18)27/h8-14H,5-7,15H2,1-4H3,(H,25,27).
What are the key properties of 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 665151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).