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

C22H16FN3O3 — CID 91962578

IUPAC3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1cccc2c1NC(=O)C21Nc2ccccc2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O3/c1-29-18-8-4-6-16-19(18)24-21(28)22(16)25-17-7-3-2-5-15(17)20(27)26(22)14-11-9-13(23)10-12-14/h2-12,25H,1H3,(H,24,28)
InChIKeyGVSCYJIDNKSPNW-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.71
Rot. Bonds2

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

3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 91962578) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID91962578
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1cccc2c1NC(=O)C21Nc2ccccc2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O3/c1-29-18-8-4-6-16-19(18)24-21(28)22(16)25-17-7-3-2-5-15(17)20(27)26(22)14-11-9-13(23)10-12-14/h2-12,25H,1H3,(H,24,28)
InChIKeyGVSCYJIDNKSPNW-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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Related Compounds

3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 71835307
7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 16766147
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295
3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 47006441
(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 102480512
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51719571
(2R)-3-(3-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52507364
(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94182883
3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778006
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440

Frequently Asked Questions

What is the IUPAC name of 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 91962578) is 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is COc1cccc2c1NC(=O)C21Nc2ccccc2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is GVSCYJIDNKSPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-29-18-8-4-6-16-19(18)24-21(28)22(16)25-17-7-3-2-5-15(17)20(27)26(22)14-11-9-13(23)10-12-14/h2-12,25H,1H3,(H,24,28).
What are the key properties of 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
3'-(4-fluorophenyl)-7-methoxyspiro[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 3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 91962578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).