3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C22H16FN3O2 — CID 71835307

IUPAC3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCc1cccc2c1NC(=O)C21Nc2ccccc2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O2/c1-13-5-4-7-17-19(13)24-21(28)22(17)25-18-8-3-2-6-16(18)20(27)26(22)15-11-9-14(23)10-12-15/h2-12,25H,1H3,(H,24,28)
InChIKeyWRKIUKZLCCOWIE-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.01
Rot. Bonds1

About 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 71835307) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID71835307
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCc1cccc2c1NC(=O)C21Nc2ccccc2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O2/c1-13-5-4-7-17-19(13)24-21(28)22(17)25-18-8-3-2-6-16(18)20(27)26(22)15-11-9-14(23)10-12-15/h2-12,25H,1H3,(H,24,28)
InChIKeyWRKIUKZLCCOWIE-UHFFFAOYSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 71835307) is 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is Cc1cccc2c1NC(=O)C21Nc2ccccc2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is WRKIUKZLCCOWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-13-5-4-7-17-19(13)24-21(28)22(17)25-18-8-3-2-6-16(18)20(27)26(22)15-11-9-14(23)10-12-15/h2-12,25H,1H3,(H,24,28).
What are the key properties of 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 373.39 g/mol, XLogP of 4.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 71835307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).