3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide

C21H22N2O3 — CID 56534641

IUPAC3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESCCOc1cccc(C(=O)NCCCOc2cccc3cccnc23)c1
InChIInChI=1S/C21H22N2O3/c1-2-25-18-10-3-8-17(15-18)21(24)23-13-6-14-26-19-11-4-7-16-9-5-12-22-20(16)19/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,23,24)
InChIKeyVRHFEJXGMBDLIU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.83
Rot. Bonds8

About 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide

3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide (PubChem CID 56534641) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
PubChem CID56534641
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESCCOc1cccc(C(=O)NCCCOc2cccc3cccnc23)c1
InChIInChI=1S/C21H22N2O3/c1-2-25-18-10-3-8-17(15-18)21(24)23-13-6-14-26-19-11-4-7-16-9-5-12-22-20(16)19/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,23,24)
InChIKeyVRHFEJXGMBDLIU-UHFFFAOYSA-N
XLogP3.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
CID 2993304
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56544237
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide
CID 56585571

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide?
The IUPAC name of 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide (CID 56534641) is 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide is CCOc1cccc(C(=O)NCCCOc2cccc3cccnc23)c1.
What is the InChIKey of 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide?
The InChIKey is VRHFEJXGMBDLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-25-18-10-3-8-17(15-18)21(24)23-13-6-14-26-19-11-4-7-16-9-5-12-22-20(16)19/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,23,24).
What are the key properties of 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide?
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide is sourced from PubChem (CID 56534641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).