(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C21H21N3O2 — CID 704651

IUPAC(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESO=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1C1CCCCC1
InChIInChI=1S/C21H21N3O2/c25-19-15-10-4-6-12-17(15)23-21(24(19)14-8-2-1-3-9-14)16-11-5-7-13-18(16)22-20(21)26/h4-7,10-14,23H,1-3,8-9H2,(H,22,26)/t21-/m0/s1
InChIKeySPGKWGZJJHKEHU-NRFANRHFSA-N
MW347.42 g/mol
LogP3.69
Rot. Bonds1

About (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 704651) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID704651
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESO=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1C1CCCCC1
InChIInChI=1S/C21H21N3O2/c25-19-15-10-4-6-12-17(15)23-21(24(19)14-8-2-1-3-9-14)16-11-5-7-13-18(16)22-20(21)26/h4-7,10-14,23H,1-3,8-9H2,(H,22,26)/t21-/m0/s1
InChIKeySPGKWGZJJHKEHU-NRFANRHFSA-N
XLogP3.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94572005
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
3-cyclopentylspiro[1H-quinazoline-2,4'-thiane]-4-one
CID 9299993
(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 102480512
spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione
CID 60526057
(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 29109789
(3S)-3'-(1,3-benzodioxol-5-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51717202
(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51719571
(3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
CID 869245
2-cyclodecylisoindole-1,3-dione
CID 123786237
(3S,3aR,6aS)-5-cyclohexylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 7456136
(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
CID 678131

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 704651) is (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is O=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1C1CCCCC1.
What is the InChIKey of (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is SPGKWGZJJHKEHU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-19-15-10-4-6-12-17(15)23-21(24(19)14-8-2-1-3-9-14)16-11-5-7-13-18(16)22-20(21)26/h4-7,10-14,23H,1-3,8-9H2,(H,22,26)/t21-/m0/s1.
What are the key properties of (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 347.42 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 704651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).