1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione

C17H15N3O2 — CID 12582826

IUPAC1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione
SMILESCN1c2ccccc2C(=O)NC12C(=O)c1ccccc1N2C
InChIInChI=1S/C17H15N3O2/c1-19-13-9-5-3-7-11(13)15(21)17(19)18-16(22)12-8-4-6-10-14(12)20(17)2/h3-10H,1-2H3,(H,18,22)
InChIKeyKSRRPJVEGGNXPN-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.85
Rot. Bonds

About 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione

1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione (PubChem CID 12582826) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione.

Molecular Properties

Compound Name1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione
PubChem CID12582826
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione
SMILESCN1c2ccccc2C(=O)NC12C(=O)c1ccccc1N2C
InChIInChI=1S/C17H15N3O2/c1-19-13-9-5-3-7-11(13)15(21)17(19)18-16(22)12-8-4-6-10-14(12)20(17)2/h3-10H,1-2H3,(H,18,22)
InChIKeyKSRRPJVEGGNXPN-UHFFFAOYSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione?
The IUPAC name of 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione (CID 12582826) is 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione.
What is the SMILES notation for 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione?
The canonical SMILES for 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione is CN1c2ccccc2C(=O)NC12C(=O)c1ccccc1N2C.
What is the InChIKey of 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione?
The InChIKey is KSRRPJVEGGNXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-19-13-9-5-3-7-11(13)15(21)17(19)18-16(22)12-8-4-6-10-14(12)20(17)2/h3-10H,1-2H3,(H,18,22).
What are the key properties of 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione?
1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione has a molecular weight of 293.33 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-dimethylspiro[3H-quinazoline-2,2'-indole]-3',4-dione is sourced from PubChem (CID 12582826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).