3,4,5-triethoxy-N-quinolin-8-ylbenzamide

C22H24N2O4 — CID 1018003

IUPAC3,4,5-triethoxy-N-quinolin-8-ylbenzamide
SMILESCCOc1cc(C(=O)Nc2cccc3cccnc23)cc(OCC)c1OCC
InChIInChI=1S/C22H24N2O4/c1-4-26-18-13-16(14-19(27-5-2)21(18)28-6-3)22(25)24-17-11-7-9-15-10-8-12-23-20(15)17/h7-14H,4-6H2,1-3H3,(H,24,25)
InChIKeySJSALCCZOZQUQH-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.68
Rot. Bonds8

About 3,4,5-triethoxy-N-quinolin-8-ylbenzamide

3,4,5-triethoxy-N-quinolin-8-ylbenzamide (PubChem CID 1018003) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-quinolin-8-ylbenzamide
PubChem CID1018003
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3,4,5-triethoxy-N-quinolin-8-ylbenzamide
SMILESCCOc1cc(C(=O)Nc2cccc3cccnc23)cc(OCC)c1OCC
InChIInChI=1S/C22H24N2O4/c1-4-26-18-13-16(14-19(27-5-2)21(18)28-6-3)22(25)24-17-11-7-9-15-10-8-12-23-20(15)17/h7-14H,4-6H2,1-3H3,(H,24,25)
InChIKeySJSALCCZOZQUQH-UHFFFAOYSA-N
XLogP4.68
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide
CID 39867044
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
CID 27676108
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-quinolin-8-ylbenzamide?
The IUPAC name of 3,4,5-triethoxy-N-quinolin-8-ylbenzamide (CID 1018003) is 3,4,5-triethoxy-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3,4,5-triethoxy-N-quinolin-8-ylbenzamide is CCOc1cc(C(=O)Nc2cccc3cccnc23)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-quinolin-8-ylbenzamide?
The InChIKey is SJSALCCZOZQUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-26-18-13-16(14-19(27-5-2)21(18)28-6-3)22(25)24-17-11-7-9-15-10-8-12-23-20(15)17/h7-14H,4-6H2,1-3H3,(H,24,25).
What are the key properties of 3,4,5-triethoxy-N-quinolin-8-ylbenzamide?
3,4,5-triethoxy-N-quinolin-8-ylbenzamide has a molecular weight of 380.44 g/mol, XLogP of 4.68, 8 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-quinolin-8-ylbenzamide is sourced from PubChem (CID 1018003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).