4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one

C24H24N2O3 — CID 175717349

IUPAC4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(OCCCCOc3cc(C4CC4)nc4ccccc34)cccc21
InChIInChI=1S/C24H24N2O3/c27-24-17-7-5-9-22(19(17)15-25-24)28-12-3-4-13-29-23-14-21(16-10-11-16)26-20-8-2-1-6-18(20)23/h1-2,5-9,14,16H,3-4,10-13,15H2,(H,25,27)
InChIKeyPAXAICLDQPOIOS-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.59
Rot. Bonds8

About 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one

4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one (PubChem CID 175717349) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one
PubChem CID175717349
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(OCCCCOc3cc(C4CC4)nc4ccccc34)cccc21
InChIInChI=1S/C24H24N2O3/c27-24-17-7-5-9-22(19(17)15-25-24)28-12-3-4-13-29-23-14-21(16-10-11-16)26-20-8-2-1-6-18(20)23/h1-2,5-9,14,16H,3-4,10-13,15H2,(H,25,27)
InChIKeyPAXAICLDQPOIOS-UHFFFAOYSA-N
XLogP4.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one (CID 175717349) is 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one is O=C1NCc2c(OCCCCOc3cc(C4CC4)nc4ccccc34)cccc21.
What is the InChIKey of 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one?
The InChIKey is PAXAICLDQPOIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24-17-7-5-9-22(19(17)15-25-24)28-12-3-4-13-29-23-14-21(16-10-11-16)26-20-8-2-1-6-18(20)23/h1-2,5-9,14,16H,3-4,10-13,15H2,(H,25,27).
What are the key properties of 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one?
4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one has a molecular weight of 388.47 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopropylquinolin-4-yl)oxybutoxy]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175717349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).