4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide

C21H22N2O3 — CID 26123508

IUPAC4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C21H22N2O3/c1-3-4-13-26-18-11-10-16(14-19(18)25-2)21(24)23-17-9-5-7-15-8-6-12-22-20(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,23,24)
InChIKeyCILXXKVFOPFSTN-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.67
Rot. Bonds7

About 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide

4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide (PubChem CID 26123508) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
PubChem CID26123508
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C21H22N2O3/c1-3-4-13-26-18-11-10-16(14-19(18)25-2)21(24)23-17-9-5-7-15-8-6-12-22-20(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,23,24)
InChIKeyCILXXKVFOPFSTN-UHFFFAOYSA-N
XLogP4.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.67
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-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
3-N-(2-methoxyphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108883
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
3,5-dichloro-4-propoxy-N-quinolin-8-ylbenzamide
CID 39867044
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
2-N-(4-methoxyphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093095

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide (CID 26123508) is 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide is CCCCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide?
The InChIKey is CILXXKVFOPFSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-4-13-26-18-11-10-16(14-19(18)25-2)21(24)23-17-9-5-7-15-8-6-12-22-20(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,23,24).
What are the key properties of 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide?
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 26123508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).