N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide

C23H32N2O3 — CID 91205980

IUPACN-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide
SMILESC=c1[nH]c2ccc(NC(=O)CCCCCCCCC)cc2c(=O)c1=COCC
InChIInChI=1S/C23H32N2O3/c1-4-6-7-8-9-10-11-12-22(26)25-18-13-14-21-19(15-18)23(27)20(16-28-5-2)17(3)24-21/h13-16,24H,3-12H2,1-2H3,(H,25,26)
InChIKeyOULGZSOSILLMOM-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.79
Rot. Bonds11

About N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide

N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide (PubChem CID 91205980) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide.

Molecular Properties

Compound NameN-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide
PubChem CID91205980
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide
SMILESC=c1[nH]c2ccc(NC(=O)CCCCCCCCC)cc2c(=O)c1=COCC
InChIInChI=1S/C23H32N2O3/c1-4-6-7-8-9-10-11-12-22(26)25-18-13-14-21-19(15-18)23(27)20(16-28-5-2)17(3)24-21/h13-16,24H,3-12H2,1-2H3,(H,25,26)
InChIKeyOULGZSOSILLMOM-UHFFFAOYSA-N
XLogP3.79
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 101291044
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CID 20655017
N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
CID 171981229
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(4-acetamidophenyl)hexanamide
CID 4953736
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
CID 118727855
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide?
The IUPAC name of N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide (CID 91205980) is N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide.
What is the SMILES notation for N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide?
The canonical SMILES for N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide is C=c1[nH]c2ccc(NC(=O)CCCCCCCCC)cc2c(=O)c1=COCC.
What is the InChIKey of N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide?
The InChIKey is OULGZSOSILLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-4-6-7-8-9-10-11-12-22(26)25-18-13-14-21-19(15-18)23(27)20(16-28-5-2)17(3)24-21/h13-16,24H,3-12H2,1-2H3,(H,25,26).
What are the key properties of N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide?
N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide has a molecular weight of 384.52 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethoxymethylidene)-2-methylidene-4-oxo-1H-quinolin-6-yl]decanamide is sourced from PubChem (CID 91205980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).