2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione

C24H22N2O6 — CID 11676414

IUPAC2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1
InChIInChI=1S/C24H22N2O6/c27-20-15-22(25-9-12-30-13-10-25)32-21-14-16(6-7-19(20)21)31-11-3-8-26-23(28)17-4-1-2-5-18(17)24(26)29/h1-2,4-7,14-15H,3,8-13H2
InChIKeyCTPRUQNDGQBGQG-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.69
Rot. Bonds6

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

2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione (PubChem CID 11676414) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione
PubChem CID11676414
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1
InChIInChI=1S/C24H22N2O6/c27-20-15-22(25-9-12-30-13-10-25)32-21-14-16(6-7-19(20)21)31-11-3-8-26-23(28)17-4-1-2-5-18(17)24(26)29/h1-2,4-7,14-15H,3,8-13H2
InChIKeyCTPRUQNDGQBGQG-UHFFFAOYSA-N
XLogP2.69
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one
CID 21460267
7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one
CID 11675561
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one
CID 11697295
methyl methanesulfonate;2-morpholin-4-ylchromen-4-one
CID 91025278
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
8-methyl-2-morpholin-4-yl-7-phenylchromen-4-one
CID 21460270
6-(4-methoxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11522901
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-(1,4-oxazepan-4-yl)benzo[h]chromen-4-one
CID 11208656
2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione (CID 11676414) is 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1.
What is the InChIKey of 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione?
The InChIKey is CTPRUQNDGQBGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c27-20-15-22(25-9-12-30-13-10-25)32-21-14-16(6-7-19(20)21)31-11-3-8-26-23(28)17-4-1-2-5-18(17)24(26)29/h1-2,4-7,14-15H,3,8-13H2.
What are the key properties of 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione?
2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione has a molecular weight of 434.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 11676414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).