1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one

C25H28N2O4 — CID 134690534

IUPAC1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccccc1)c1ccccc12
InChIInChI=1S/C25H28N2O4/c28-22(10-11-26-12-14-30-15-13-26)23-16-25(18-31-23)17-27(21-9-5-4-8-20(21)25)24(29)19-6-2-1-3-7-19/h1-9,23H,10-18H2
InChIKeyKXAVVQHWHNZVRT-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.67
Rot. Bonds5

About 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one

1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 134690534) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID134690534
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccccc1)c1ccccc12
InChIInChI=1S/C25H28N2O4/c28-22(10-11-26-12-14-30-15-13-26)23-16-25(18-31-23)17-27(21-9-5-4-8-20(21)25)24(29)19-6-2-1-3-7-19/h1-9,23H,10-18H2
InChIKeyKXAVVQHWHNZVRT-UHFFFAOYSA-N
XLogP2.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one (CID 134690534) is 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccccc1)c1ccccc12.
What is the InChIKey of 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is KXAVVQHWHNZVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c28-22(10-11-26-12-14-30-15-13-26)23-16-25(18-31-23)17-27(21-9-5-4-8-20(21)25)24(29)19-6-2-1-3-7-19/h1-9,23H,10-18H2.
What are the key properties of 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one?
1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 420.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 134690534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).