(2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione

C22H15BrClN3O2 — CID 102222383

IUPAC(2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
SMILESO=C1N[C@@]2(Nc3ccc(Cl)cc31)C(=O)N(Cc1ccccc1)c1cc(Br)ccc12
InChIInChI=1S/C22H15BrClN3O2/c23-14-6-8-17-19(10-14)27(12-13-4-2-1-3-5-13)21(29)22(17)25-18-9-7-15(24)11-16(18)20(28)26-22/h1-11,25H,12H2,(H,26,28)/t22-/m1/s1
InChIKeyVVMNXFIYJVFNFP-JOCHJYFZSA-N
MW468.74 g/mol
LogP4.66
Rot. Bonds2

About (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione

(2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione (PubChem CID 102222383) has the molecular formula C22H15BrClN3O2 and a molecular weight of 468.74 g/mol. Its IUPAC name is (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
PubChem CID102222383
Molecular FormulaC22H15BrClN3O2
Molecular Weight468.74 g/mol
Exact Mass467.00
IUPAC Name(2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
SMILESO=C1N[C@@]2(Nc3ccc(Cl)cc31)C(=O)N(Cc1ccccc1)c1cc(Br)ccc12
InChIInChI=1S/C22H15BrClN3O2/c23-14-6-8-17-19(10-14)27(12-13-4-2-1-3-5-13)21(29)22(17)25-18-9-7-15(24)11-16(18)20(28)26-22/h1-11,25H,12H2,(H,26,28)/t22-/m1/s1
InChIKeyVVMNXFIYJVFNFP-JOCHJYFZSA-N
XLogP4.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.74
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

1-benzyl-5-bromo-3,3-difluoroindol-2-one
CID 102306574
(2R)-1'-benzyl-7'-methylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 102222382
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
CID 118710088
3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 58017128
3-benzyl-6-chloro-3-hydroxy-2H-isoindol-1-one
CID 86685938
(3S)-3-amino-1-benzyl-6-bromo-3-[(2S)-2-fluoro-1-oxo-3,4-dihydronaphthalen-2-yl]indol-2-one
CID 132554327
1-benzyl-5-bromo-3-hydroxy-3-(hydroxymethyl)indol-2-one
CID 102334862
1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 135027143
5-benzyl-8-bromo-3-nitro-11H-benzo[b][1,4]benzodiazepin-6-one
CID 155338349
1-benzyl-6-chloro-3-hydroxy-3-(2-methylprop-2-enyl)indol-2-one
CID 162398533
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 25053747

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione (CID 102222383) is (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione is O=C1N[C@@]2(Nc3ccc(Cl)cc31)C(=O)N(Cc1ccccc1)c1cc(Br)ccc12.
What is the InChIKey of (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione?
The InChIKey is VVMNXFIYJVFNFP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H15BrClN3O2/c23-14-6-8-17-19(10-14)27(12-13-4-2-1-3-5-13)21(29)22(17)25-18-9-7-15(24)11-16(18)20(28)26-22/h1-11,25H,12H2,(H,26,28)/t22-/m1/s1.
What are the key properties of (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione?
(2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione has a molecular weight of 468.74 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 102222383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).