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

C29H23N3O2 — CID 12582829

IUPAC1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione
SMILESO=C1NC2(C(=O)c3ccccc3N2Cc2ccccc2)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C29H23N3O2/c33-27-23-15-7-9-17-25(23)31(19-21-11-3-1-4-12-21)29(27)30-28(34)24-16-8-10-18-26(24)32(29)20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,30,34)
InChIKeyASGBNXXQRBOUIA-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.99
Rot. Bonds4

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

1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione (PubChem CID 12582829) has the molecular formula C29H23N3O2 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione.

Molecular Properties

Compound Name1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione
PubChem CID12582829
Molecular FormulaC29H23N3O2
Molecular Weight445.52 g/mol
Exact Mass445.18
IUPAC Name1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione
SMILESO=C1NC2(C(=O)c3ccccc3N2Cc2ccccc2)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C29H23N3O2/c33-27-23-15-7-9-17-25(23)31(19-21-11-3-1-4-12-21)29(27)30-28(34)24-16-8-10-18-26(24)32(29)20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,30,34)
InChIKeyASGBNXXQRBOUIA-UHFFFAOYSA-N
XLogP4.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione?
The IUPAC name of 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione (CID 12582829) is 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione.
What is the SMILES notation for 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione?
The canonical SMILES for 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione is O=C1NC2(C(=O)c3ccccc3N2Cc2ccccc2)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione?
The InChIKey is ASGBNXXQRBOUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2/c33-27-23-15-7-9-17-25(23)31(19-21-11-3-1-4-12-21)29(27)30-28(34)24-16-8-10-18-26(24)32(29)20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,30,34).
What are the key properties of 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione?
1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione has a molecular weight of 445.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione is sourced from PubChem (CID 12582829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).