1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one

C25H22N2O5 — CID 16584750

IUPAC1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
SMILESCOc1cc(OC)cc(C(=O)N2c3ccccc3COC23C(=O)N(C)c2ccccc23)c1
InChIInChI=1S/C25H22N2O5/c1-26-22-11-7-5-9-20(22)25(24(26)29)27(21-10-6-4-8-16(21)15-32-25)23(28)17-12-18(30-2)14-19(13-17)31-3/h4-14H,15H2,1-3H3
InChIKeyGDMFAZUNBAXZMD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.71
Rot. Bonds3

About 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one

1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one (PubChem CID 16584750) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
PubChem CID16584750
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
SMILESCOc1cc(OC)cc(C(=O)N2c3ccccc3COC23C(=O)N(C)c2ccccc23)c1
InChIInChI=1S/C25H22N2O5/c1-26-22-11-7-5-9-20(22)25(24(26)29)27(21-10-6-4-8-16(21)15-32-25)23(28)17-12-18(30-2)14-19(13-17)31-3/h4-14H,15H2,1-3H3
InChIKeyGDMFAZUNBAXZMD-UHFFFAOYSA-N
XLogP3.71
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one (CID 16584750) is 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one is COc1cc(OC)cc(C(=O)N2c3ccccc3COC23C(=O)N(C)c2ccccc23)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The InChIKey is GDMFAZUNBAXZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-26-22-11-7-5-9-20(22)25(24(26)29)27(21-10-6-4-8-16(21)15-32-25)23(28)17-12-18(30-2)14-19(13-17)31-3/h4-14H,15H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one has a molecular weight of 430.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one is sourced from PubChem (CID 16584750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).