N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide

C24H35N3O2 — CID 136503680

IUPACN-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C24H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(28)27-25-19-21-18-20-15-13-14-16-22(20)26-24(21)29/h13-16,18-19H,2-12,17H2,1H3,(H,26,29)(H,27,28)/b25-19+
InChIKeyRICZNACNIOJNRU-NCELDCMTSA-N
MW397.56 g/mol
LogP5.68
Rot. Bonds14

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

N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide (PubChem CID 136503680) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide.

Molecular Properties

Compound NameN-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
PubChem CID136503680
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C24H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(28)27-25-19-21-18-20-15-13-14-16-22(20)26-24(21)29/h13-16,18-19H,2-12,17H2,1H3,(H,26,29)(H,27,28)/b25-19+
InChIKeyRICZNACNIOJNRU-NCELDCMTSA-N
XLogP5.68
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 932384
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 136782146
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3586346
3-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3548423
2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135615366

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide?
The IUPAC name of N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide (CID 136503680) is N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide.
What is the SMILES notation for N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide?
The canonical SMILES for N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide is CCCCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide?
The InChIKey is RICZNACNIOJNRU-NCELDCMTSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(28)27-25-19-21-18-20-15-13-14-16-22(20)26-24(21)29/h13-16,18-19H,2-12,17H2,1H3,(H,26,29)(H,27,28)/b25-19+.
What are the key properties of N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide?
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide has a molecular weight of 397.56 g/mol, XLogP of 5.68, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide is sourced from PubChem (CID 136503680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).