(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C21H14BrN3O2 — CID 102480512

IUPAC(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESO=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3O2/c22-13-9-11-14(12-10-13)25-19(26)15-5-1-3-7-17(15)24-21(25)16-6-2-4-8-18(16)23-20(21)27/h1-12,24H,(H,23,27)/t21-/m1/s1
InChIKeyPOMQNLSKTBCFME-OAQYLSRUSA-N
MW420.27 g/mol
LogP4.33
Rot. Bonds1

About (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 102480512) has the molecular formula C21H14BrN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID102480512
Molecular FormulaC21H14BrN3O2
Molecular Weight420.27 g/mol
Exact Mass419.03
IUPAC Name(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESO=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3O2/c22-13-9-11-14(12-10-13)25-19(26)15-5-1-3-7-17(15)24-21(25)16-6-2-4-8-18(16)23-20(21)27/h1-12,24H,(H,23,27)/t21-/m1/s1
InChIKeyPOMQNLSKTBCFME-OAQYLSRUSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione with MolForge

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Related Compounds

3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
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-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 91962578
(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 704651
3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 47006441
(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 29109789
(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51719571
(3S)-3'-(1,3-benzodioxol-5-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51717202
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 102480512) is (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(Br)cc1.
What is the InChIKey of (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is POMQNLSKTBCFME-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H14BrN3O2/c22-13-9-11-14(12-10-13)25-19(26)15-5-1-3-7-17(15)24-21(25)16-6-2-4-8-18(16)23-20(21)27/h1-12,24H,(H,23,27)/t21-/m1/s1.
What are the key properties of (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 420.27 g/mol, XLogP of 4.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 102480512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).