5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione

C23H18BrN3O2 — CID 2975484

IUPAC5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)c3ccccc3NC23C(=O)N(C)c2ccc(Br)cc23)cc1
InChIInChI=1S/C23H18BrN3O2/c1-14-7-10-16(11-8-14)27-21(28)17-5-3-4-6-19(17)25-23(27)18-13-15(24)9-12-20(18)26(2)22(23)29/h3-13,25H,1-2H3
InChIKeyNYYMXIFMCCOJBX-UHFFFAOYSA-N
MW448.32 g/mol
LogP4.66
Rot. Bonds1

About 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione

5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 2975484) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID2975484
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC Name5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)c3ccccc3NC23C(=O)N(C)c2ccc(Br)cc23)cc1
InChIInChI=1S/C23H18BrN3O2/c1-14-7-10-16(11-8-14)27-21(28)17-5-3-4-6-19(17)25-23(27)18-13-15(24)9-12-20(18)26(2)22(23)29/h3-13,25H,1-2H3
InChIKeyNYYMXIFMCCOJBX-UHFFFAOYSA-N
XLogP4.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 2975484) is 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione is Cc1ccc(N2C(=O)c3ccccc3NC23C(=O)N(C)c2ccc(Br)cc23)cc1.
What is the InChIKey of 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is NYYMXIFMCCOJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c1-14-7-10-16(11-8-14)27-21(28)17-5-3-4-6-19(17)25-23(27)18-13-15(24)9-12-20(18)26(2)22(23)29/h3-13,25H,1-2H3.
What are the key properties of 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 448.32 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 2975484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).