2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide

C21H22N2O3 — CID 26823129

IUPAC2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(OC)c2ncccc12
InChIInChI=1S/C21H22N2O3/c1-3-4-14-26-18-10-6-5-8-16(18)21(24)23-17-11-12-19(25-2)20-15(17)9-7-13-22-20/h5-13H,3-4,14H2,1-2H3,(H,23,24)
InChIKeySIYQMKRAXJYZNC-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.67
Rot. Bonds7

About 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide

2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide (PubChem CID 26823129) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
PubChem CID26823129
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(OC)c2ncccc12
InChIInChI=1S/C21H22N2O3/c1-3-4-14-26-18-10-6-5-8-16(18)21(24)23-17-11-12-19(25-2)20-15(17)9-7-13-22-20/h5-13H,3-4,14H2,1-2H3,(H,23,24)
InChIKeySIYQMKRAXJYZNC-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

2-bromo-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823266
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282
4-methoxy-N-(8-methoxyquinolin-5-yl)butanamide
CID 47383104
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide?
The IUPAC name of 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide (CID 26823129) is 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide.
What is the SMILES notation for 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide?
The canonical SMILES for 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide is CCCCOc1ccccc1C(=O)Nc1ccc(OC)c2ncccc12.
What is the InChIKey of 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide?
The InChIKey is SIYQMKRAXJYZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-4-14-26-18-10-6-5-8-16(18)21(24)23-17-11-12-19(25-2)20-15(17)9-7-13-22-20/h5-13H,3-4,14H2,1-2H3,(H,23,24).
What are the key properties of 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide?
2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide 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 2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide is sourced from PubChem (CID 26823129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).