4-butoxy-N-quinolin-5-ylbenzamide

C20H20N2O2 — CID 3982301

IUPAC4-butoxy-N-quinolin-5-ylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-2-3-14-24-16-11-9-15(10-12-16)20(23)22-19-8-4-7-18-17(19)6-5-13-21-18/h4-13H,2-3,14H2,1H3,(H,22,23)
InChIKeyALHSXFXCGLYAFK-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.67
Rot. Bonds6

About 4-butoxy-N-quinolin-5-ylbenzamide

4-butoxy-N-quinolin-5-ylbenzamide (PubChem CID 3982301) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-butoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-butoxy-N-quinolin-5-ylbenzamide
PubChem CID3982301
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-butoxy-N-quinolin-5-ylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-2-3-14-24-16-11-9-15(10-12-16)20(23)22-19-8-4-7-18-17(19)6-5-13-21-18/h4-13H,2-3,14H2,1H3,(H,22,23)
InChIKeyALHSXFXCGLYAFK-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
CID 55736145
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide
CID 5124937
4-(diethylamino)-N-quinolin-5-ylbenzamide
CID 112767915
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
4-methylsulfinyl-N-quinolin-5-ylbenzamide
CID 51182481
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-butoxy-N-quinolin-5-ylbenzamide (CID 3982301) is 4-butoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-butoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-butoxy-N-quinolin-5-ylbenzamide is CCCCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-butoxy-N-quinolin-5-ylbenzamide?
The InChIKey is ALHSXFXCGLYAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-3-14-24-16-11-9-15(10-12-16)20(23)22-19-8-4-7-18-17(19)6-5-13-21-18/h4-13H,2-3,14H2,1H3,(H,22,23).
What are the key properties of 4-butoxy-N-quinolin-5-ylbenzamide?
4-butoxy-N-quinolin-5-ylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 3982301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).