4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

C21H21N3O3 — CID 135752255

IUPAC4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCCCCOc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-2-3-12-27-18-10-8-15(9-11-18)21(26)24-22-14-17-13-16-6-4-5-7-19(16)23-20(17)25/h4-11,13-14H,2-3,12H2,1H3,(H,23,25)(H,24,26)/b22-14+
InChIKeyGKCMJHLOMJQOPY-HYARGMPZSA-N
MW363.42 g/mol
LogP3.47
Rot. Bonds7

About 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (PubChem CID 135752255) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
PubChem CID135752255
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCCCCOc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-2-3-12-27-18-10-8-15(9-11-18)21(26)24-22-14-17-13-16-6-4-5-7-19(16)23-20(17)25/h4-11,13-14H,2-3,12H2,1H3,(H,23,25)(H,24,26)/b22-14+
InChIKeyGKCMJHLOMJQOPY-HYARGMPZSA-N
XLogP3.47
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
3-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135685127
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135801100
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135752432
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 932384
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3586346
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135615366

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (CID 135752255) is 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is CCCCOc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The InChIKey is GKCMJHLOMJQOPY-HYARGMPZSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-3-12-27-18-10-8-15(9-11-18)21(26)24-22-14-17-13-16-6-4-5-7-19(16)23-20(17)25/h4-11,13-14H,2-3,12H2,1H3,(H,23,25)(H,24,26)/b22-14+.
What are the key properties of 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135752255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).