2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

C21H20N4O2 — CID 137085097

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESCc1ccc2[nH]c(=O)c(/C=N\NC(=O)CN3Cc4ccccc4C3)cc2c1
InChIInChI=1S/C21H20N4O2/c1-14-6-7-19-17(8-14)9-18(21(27)23-19)10-22-24-20(26)13-25-11-15-4-2-3-5-16(15)12-25/h2-10H,11-13H2,1H3,(H,23,27)(H,24,26)/b22-10-
InChIKeyVXVZIZZPAQVKDM-YVNNLAQVSA-N
MW360.42 g/mol
LogP2.30
Rot. Bonds4

About 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (PubChem CID 137085097) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
PubChem CID137085097
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESCc1ccc2[nH]c(=O)c(/C=N\NC(=O)CN3Cc4ccccc4C3)cc2c1
InChIInChI=1S/C21H20N4O2/c1-14-6-7-19-17(8-14)9-18(21(27)23-19)10-22-24-20(26)13-25-11-15-4-2-3-5-16(15)12-25/h2-10H,11-13H2,1H3,(H,23,27)(H,24,26)/b22-10-
InChIKeyVXVZIZZPAQVKDM-YVNNLAQVSA-N
XLogP2.30
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
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 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide with MolForge

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Related Compounds

[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea
CID 141311097
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135684696
2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 136782146
N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 136800738
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one
CID 931634
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 932384
2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 135606314
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 126228664
3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one
CID 936422
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (CID 137085097) is 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is Cc1ccc2[nH]c(=O)c(/C=N\NC(=O)CN3Cc4ccccc4C3)cc2c1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The InChIKey is VXVZIZZPAQVKDM-YVNNLAQVSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-6-7-19-17(8-14)9-18(21(27)23-19)10-22-24-20(26)13-25-11-15-4-2-3-5-16(15)12-25/h2-10H,11-13H2,1H3,(H,23,27)(H,24,26)/b22-10-.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 137085097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).