3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C24H21N3O3 — CID 47006441

IUPAC3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccc(N2C(=O)c3ccccc3NC23C(=O)Nc2c(C)cc(C)cc23)cc1
InChIInChI=1S/C24H21N3O3/c1-14-12-15(2)21-19(13-14)24(23(29)25-21)26-20-7-5-4-6-18(20)22(28)27(24)16-8-10-17(30-3)11-9-16/h4-13,26H,1-3H3,(H,25,29)
InChIKeyNFIKHCYLFJMLHK-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.19
Rot. Bonds2

About 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 47006441) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID47006441
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccc(N2C(=O)c3ccccc3NC23C(=O)Nc2c(C)cc(C)cc23)cc1
InChIInChI=1S/C24H21N3O3/c1-14-12-15(2)21-19(13-14)24(23(29)25-21)26-20-7-5-4-6-18(20)22(28)27(24)16-8-10-17(30-3)11-9-16/h4-13,26H,1-3H3,(H,25,29)
InChIKeyNFIKHCYLFJMLHK-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 47006441) is 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is COc1ccc(N2C(=O)c3ccccc3NC23C(=O)Nc2c(C)cc(C)cc23)cc1.
What is the InChIKey of 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is NFIKHCYLFJMLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-14-12-15(2)21-19(13-14)24(23(29)25-21)26-20-7-5-4-6-18(20)22(28)27(24)16-8-10-17(30-3)11-9-16/h4-13,26H,1-3H3,(H,25,29).
What are the key properties of 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 399.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 47006441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).