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

C28H19ClFN3O2 — CID 91962328

IUPAC3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESO=C1c2ccccc2NC2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(Cl)cc1
InChIInChI=1S/C28H19ClFN3O2/c29-19-13-15-20(16-14-19)33-26(34)21-8-2-5-11-24(21)31-28(33)22-9-3-6-12-25(22)32(27(28)35)17-18-7-1-4-10-23(18)30/h1-16,31H,17H2
InChIKeyCNFOSMGDIYHKSP-UHFFFAOYSA-N
MW483.93 g/mol
LogP5.95
Rot. Bonds3

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

3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 91962328) has the molecular formula C28H19ClFN3O2 and a molecular weight of 483.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID91962328
Molecular FormulaC28H19ClFN3O2
Molecular Weight483.93 g/mol
Exact Mass483.11
IUPAC Name3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESO=C1c2ccccc2NC2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(Cl)cc1
InChIInChI=1S/C28H19ClFN3O2/c29-19-13-15-20(16-14-19)33-26(34)21-8-2-5-11-24(21)31-28(33)22-9-3-6-12-25(22)32(27(28)35)17-18-7-1-4-10-23(18)30/h1-16,31H,17H2
InChIKeyCNFOSMGDIYHKSP-UHFFFAOYSA-N
XLogP5.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.93
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960
(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457149
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150
7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 16766147
(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52512911
3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 71835307
(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 102480512
3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 54590200
(2R)-3-(3-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52507364
(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42558804

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 91962328) is 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione is O=C1c2ccccc2NC2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is CNFOSMGDIYHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClFN3O2/c29-19-13-15-20(16-14-19)33-26(34)21-8-2-5-11-24(21)31-28(33)22-9-3-6-12-25(22)32(27(28)35)17-18-7-1-4-10-23(18)30/h1-16,31H,17H2.
What are the key properties of 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 483.93 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 91962328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).