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

C21H13ClFN3O2 — CID 16766147

IUPAC7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESO=C1c2ccccc2NC2(C(=O)Nc3c(Cl)cccc32)N1c1ccc(F)cc1
InChIInChI=1S/C21H13ClFN3O2/c22-16-6-3-5-15-18(16)24-20(28)21(15)25-17-7-2-1-4-14(17)19(27)26(21)13-10-8-12(23)9-11-13/h1-11,25H,(H,24,28)
InChIKeyISJLOHACCXYTCS-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.36
Rot. Bonds1

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

7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 16766147) has the molecular formula C21H13ClFN3O2 and a molecular weight of 393.81 g/mol. Its IUPAC name is 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID16766147
Molecular FormulaC21H13ClFN3O2
Molecular Weight393.81 g/mol
Exact Mass393.07
IUPAC Name7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESO=C1c2ccccc2NC2(C(=O)Nc3c(Cl)cccc32)N1c1ccc(F)cc1
InChIInChI=1S/C21H13ClFN3O2/c22-16-6-3-5-15-18(16)24-20(28)21(15)25-17-7-2-1-4-14(17)19(27)26(21)13-10-8-12(23)9-11-13/h1-11,25H,(H,24,28)
InChIKeyISJLOHACCXYTCS-UHFFFAOYSA-N
XLogP4.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 71835307
3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 91962578
(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 102480512
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
3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 91962328
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960
(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440
(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457149
(3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94178883

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 16766147) is 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is O=C1c2ccccc2NC2(C(=O)Nc3c(Cl)cccc32)N1c1ccc(F)cc1.
What is the InChIKey of 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is ISJLOHACCXYTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O2/c22-16-6-3-5-15-18(16)24-20(28)21(15)25-17-7-2-1-4-14(17)19(27)26(21)13-10-8-12(23)9-11-13/h1-11,25H,(H,24,28).
What are the key properties of 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 393.81 g/mol, XLogP of 4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 16766147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).