3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide

C21H22N2O5 — CID 5295594

IUPAC3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide
SMILESCOc1cc(C(=O)NCCOc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C21H22N2O5/c1-25-17-12-15(13-18(26-2)20(17)27-3)21(24)23-10-11-28-16-8-4-6-14-7-5-9-22-19(14)16/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)
InChIKeyKBSUHQMNOPYFDU-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.07
Rot. Bonds8

About 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide

3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide (PubChem CID 5295594) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide
PubChem CID5295594
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide
SMILESCOc1cc(C(=O)NCCOc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C21H22N2O5/c1-25-17-12-15(13-18(26-2)20(17)27-3)21(24)23-10-11-28-16-8-4-6-14-7-5-9-22-19(14)16/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)
InChIKeyKBSUHQMNOPYFDU-UHFFFAOYSA-N
XLogP3.07
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide (CID 5295594) is 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide is COc1cc(C(=O)NCCOc2cccc3cccnc23)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide?
The InChIKey is KBSUHQMNOPYFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-17-12-15(13-18(26-2)20(17)27-3)21(24)23-10-11-28-16-8-4-6-14-7-5-9-22-19(14)16/h4-9,12-13H,10-11H2,1-3H3,(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide?
3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide has a molecular weight of 382.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-quinolin-8-yloxyethyl)benzamide is sourced from PubChem (CID 5295594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).