3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide

C25H34N2O4 — CID 16837089

IUPAC3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCc2ccc3c(c2)CCCN3C)cc(OCC)c1OCC
InChIInChI=1S/C25H34N2O4/c1-5-29-22-16-20(17-23(30-6-2)24(22)31-7-3)25(28)26-13-12-18-10-11-21-19(15-18)9-8-14-27(21)4/h10-11,15-17H,5-9,12-14H2,1-4H3,(H,26,28)
InChIKeyMSZFUORYLKUBAU-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.24
Rot. Bonds10

About 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide

3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide (PubChem CID 16837089) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
PubChem CID16837089
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCc2ccc3c(c2)CCCN3C)cc(OCC)c1OCC
InChIInChI=1S/C25H34N2O4/c1-5-29-22-16-20(17-23(30-6-2)24(22)31-7-3)25(28)26-13-12-18-10-11-21-19(15-18)9-8-14-27(21)4/h10-11,15-17H,5-9,12-14H2,1-4H3,(H,26,28)
InChIKeyMSZFUORYLKUBAU-UHFFFAOYSA-N
XLogP4.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
3,4,5-triethoxy-N-[2-(furan-3-yl)ethyl]benzamide
CID 90558366
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305
2-(4-chlorophenoxy)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
CID 16837028
1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379595
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837338
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide (CID 16837089) is 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide is CCOc1cc(C(=O)NCCc2ccc3c(c2)CCCN3C)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide?
The InChIKey is MSZFUORYLKUBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-5-29-22-16-20(17-23(30-6-2)24(22)31-7-3)25(28)26-13-12-18-10-11-21-19(15-18)9-8-14-27(21)4/h10-11,15-17H,5-9,12-14H2,1-4H3,(H,26,28).
What are the key properties of 3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide?
3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.24, 10 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-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide is sourced from PubChem (CID 16837089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).