4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

C22H24N2O3 — CID 156590270

IUPAC4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCCCCOc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1
InChIInChI=1S/C22H24N2O3/c1-4-5-12-27-18-9-6-16(7-10-18)22(26)23-17-8-11-19-14(2)15(3)21(25)24-20(19)13-17/h6-11,13,19H,4-5,12H2,1-3H3,(H,24,25)/b23-17+
InChIKeyGCNXJHWANJXEGD-HAVVHWLPSA-N
MW364.45 g/mol
LogP3.98
Rot. Bonds5

About 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (PubChem CID 156590270) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
PubChem CID156590270
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCCCCOc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1
InChIInChI=1S/C22H24N2O3/c1-4-5-12-27-18-9-6-16(7-10-18)22(26)23-17-8-11-19-14(2)15(3)21(25)24-20(19)13-17/h6-11,13,19H,4-5,12H2,1-3H3,(H,24,25)/b23-17+
InChIKeyGCNXJHWANJXEGD-HAVVHWLPSA-N
XLogP3.98
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The IUPAC name of 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (CID 156590270) is 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.
What is the SMILES notation for 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The canonical SMILES for 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is CCCCOc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1.
What is the InChIKey of 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The InChIKey is GCNXJHWANJXEGD-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-5-12-27-18-9-6-16(7-10-18)22(26)23-17-8-11-19-14(2)15(3)21(25)24-20(19)13-17/h6-11,13,19H,4-5,12H2,1-3H3,(H,24,25)/b23-17+.
What are the key properties of 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is sourced from PubChem (CID 156590270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).