2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione

C19H12ClN3O3 — CID 9072493

IUPAC2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccc2nc(Cl)c(/C=N\N3C(=O)c4ccccc4C3=O)cc2c1
InChIInChI=1S/C19H12ClN3O3/c1-26-13-6-7-16-11(9-13)8-12(17(20)22-16)10-21-23-18(24)14-4-2-3-5-15(14)19(23)25/h2-10H,1H3/b21-10-
InChIKeyVIRFPEIUAHJMOU-FBHDLOMBSA-N
MW365.78 g/mol
LogP3.53
Rot. Bonds3

About 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione

2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione (PubChem CID 9072493) has the molecular formula C19H12ClN3O3 and a molecular weight of 365.78 g/mol. Its IUPAC name is 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione
PubChem CID9072493
Molecular FormulaC19H12ClN3O3
Molecular Weight365.78 g/mol
Exact Mass365.06
IUPAC Name2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccc2nc(Cl)c(/C=N\N3C(=O)c4ccccc4C3=O)cc2c1
InChIInChI=1S/C19H12ClN3O3/c1-26-13-6-7-16-11(9-13)8-12(17(20)22-16)10-21-23-18(24)14-4-2-3-5-15(14)19(23)25/h2-10H,1H3/b21-10-
InChIKeyVIRFPEIUAHJMOU-FBHDLOMBSA-N
XLogP3.53
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012708
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578
2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359739
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
CID 5392488
3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one
CID 5161149
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987
3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-ene-1-thiol
CID 169456488
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 45257570
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317040

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione (CID 9072493) is 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione is COc1ccc2nc(Cl)c(/C=N\N3C(=O)c4ccccc4C3=O)cc2c1.
What is the InChIKey of 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione?
The InChIKey is VIRFPEIUAHJMOU-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H12ClN3O3/c1-26-13-6-7-16-11(9-13)8-12(17(20)22-16)10-21-23-18(24)14-4-2-3-5-15(14)19(23)25/h2-10H,1H3/b21-10-.
What are the key properties of 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione?
2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione has a molecular weight of 365.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 9072493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).