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

C22H16FN3O3 — CID 139218295

IUPAC5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccc(N2C(=O)c3ccccc3NC23C(=O)Nc2ccc(F)cc23)cc1
InChIInChI=1S/C22H16FN3O3/c1-29-15-9-7-14(8-10-15)26-20(27)16-4-2-3-5-18(16)25-22(26)17-12-13(23)6-11-19(17)24-21(22)28/h2-12,25H,1H3,(H,24,28)
InChIKeyBDJHBFDSVUDVSP-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.71
Rot. Bonds2

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

5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 139218295) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID139218295
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccc(N2C(=O)c3ccccc3NC23C(=O)Nc2ccc(F)cc23)cc1
InChIInChI=1S/C22H16FN3O3/c1-29-15-9-7-14(8-10-15)26-20(27)16-4-2-3-5-18(16)25-22(26)17-12-13(23)6-11-19(17)24-21(22)28/h2-12,25H,1H3,(H,24,28)
InChIKeyBDJHBFDSVUDVSP-UHFFFAOYSA-N
XLogP3.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 139218295) is 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is COc1ccc(N2C(=O)c3ccccc3NC23C(=O)Nc2ccc(F)cc23)cc1.
What is the InChIKey of 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is BDJHBFDSVUDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-29-15-9-7-14(8-10-15)26-20(27)16-4-2-3-5-18(16)25-22(26)17-12-13(23)6-11-19(17)24-21(22)28/h2-12,25H,1H3,(H,24,28).
What are the key properties of 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 389.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 139218295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).