2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione

C22H20N2O5 — CID 22936492

IUPAC2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione
SMILESCOc1cc2nccc(OCCCN3C(=O)c4ccccc4C3=O)c2cc1OC
InChIInChI=1S/C22H20N2O5/c1-27-19-12-16-17(13-20(19)28-2)23-9-8-18(16)29-11-5-10-24-21(25)14-6-3-4-7-15(14)22(24)26/h3-4,6-9,12-13H,5,10-11H2,1-2H3
InChIKeyIRZORBQJFUMEHC-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.32
Rot. Bonds7

About 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione

2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione (PubChem CID 22936492) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione
PubChem CID22936492
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione
SMILESCOc1cc2nccc(OCCCN3C(=O)c4ccccc4C3=O)c2cc1OC
InChIInChI=1S/C22H20N2O5/c1-27-19-12-16-17(13-20(19)28-2)23-9-8-18(16)29-11-5-10-24-21(25)14-6-3-4-7-15(14)22(24)26/h3-4,6-9,12-13H,5,10-11H2,1-2H3
InChIKeyIRZORBQJFUMEHC-UHFFFAOYSA-N
XLogP3.32
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione with MolForge

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Related Compounds

3-[3-(1,3-dioxoisoindol-2-yl)propoxy]-4-methoxybenzoic acid
CID 71561775
2-[4-(6,7-dimethoxyquinazolin-4-yl)-4-sulfanylbutyl]isoindole-1,3-dione
CID 175452423
2-[4-(4-bromo-2-methoxyphenoxy)butyl]isoindole-1,3-dione
CID 155920686
3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-4-methoxybenzoic acid
CID 71561776
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
CID 2966288
4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
CID 141291334
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[(Z)-4-(7-methoxyquinolin-4-yl)but-3-enyl]isoindole-1,3-dione
CID 67657749
2-[(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
CID 1238236
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione (CID 22936492) is 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione is COc1cc2nccc(OCCCN3C(=O)c4ccccc4C3=O)c2cc1OC.
What is the InChIKey of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione?
The InChIKey is IRZORBQJFUMEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-27-19-12-16-17(13-20(19)28-2)23-9-8-18(16)29-11-5-10-24-21(25)14-6-3-4-7-15(14)22(24)26/h3-4,6-9,12-13H,5,10-11H2,1-2H3.
What are the key properties of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione?
2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione has a molecular weight of 392.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 22936492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).