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

C25H27FN2O4 — CID 134689550

IUPAC1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C25H27FN2O4/c26-19-7-5-18(6-8-19)24(30)28-16-25(20-3-1-2-4-21(20)28)15-23(32-17-25)22(29)9-10-27-11-13-31-14-12-27/h1-8,23H,9-17H2
InChIKeyRDLLLIQHPXBSBX-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.80
Rot. Bonds5

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

1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 134689550) has the molecular formula C25H27FN2O4 and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID134689550
Molecular FormulaC25H27FN2O4
Molecular Weight438.50 g/mol
Exact Mass438.20
IUPAC Name1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C25H27FN2O4/c26-19-7-5-18(6-8-19)24(30)28-16-25(20-3-1-2-4-21(20)28)15-23(32-17-25)22(29)9-10-27-11-13-31-14-12-27/h1-8,23H,9-17H2
InChIKeyRDLLLIQHPXBSBX-UHFFFAOYSA-N
XLogP2.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one (CID 134689550) is 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12.
What is the InChIKey of 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is RDLLLIQHPXBSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4/c26-19-7-5-18(6-8-19)24(30)28-16-25(20-3-1-2-4-21(20)28)15-23(32-17-25)22(29)9-10-27-11-13-31-14-12-27/h1-8,23H,9-17H2.
What are the key properties of 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one?
1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 438.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 134689550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).