4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide

C20H18N4O3 — CID 136911857

IUPAC4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N/N=C\c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C20H18N4O3/c1-13-6-8-14(9-7-13)19(26)21-12-18(25)24-22-11-16-10-15-4-2-3-5-17(15)23-20(16)27/h2-11H,12H2,1H3,(H,21,26)(H,23,27)(H,24,25)/b22-11-
InChIKeyKBUDPCHQWYVHMD-JJFYIABZSA-N
MW362.39 g/mol
LogP1.72
Rot. Bonds5

About 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide

4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 136911857) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID136911857
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N/N=C\c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C20H18N4O3/c1-13-6-8-14(9-7-13)19(26)21-12-18(25)24-22-11-16-10-15-4-2-3-5-17(15)23-20(16)27/h2-11H,12H2,1H3,(H,21,26)(H,23,27)(H,24,25)/b22-11-
InChIKeyKBUDPCHQWYVHMD-JJFYIABZSA-N
XLogP1.72
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide with MolForge

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Related Compounds

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
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 136782146
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 137085097
4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 5169627
4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 932384

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide (CID 136911857) is 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)N/N=C\c2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is KBUDPCHQWYVHMD-JJFYIABZSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-6-8-14(9-7-13)19(26)21-12-18(25)24-22-11-16-10-15-4-2-3-5-17(15)23-20(16)27/h2-11H,12H2,1H3,(H,21,26)(H,23,27)(H,24,25)/b22-11-.
What are the key properties of 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 136911857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).