(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one

C25H30N2O5Si — CID 23844599

IUPAC(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
SMILESC[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)Nc1ccc(N3C(=O)CCc4ccccc43)cc12
InChIInChI=1S/C25H30N2O5Si/c1-15-23(33(2,3)31)21(12-13-28)32-25(15)18-14-17(9-10-19(18)26-24(25)30)27-20-7-5-4-6-16(20)8-11-22(27)29/h4-7,9-10,14-15,21,23,28,31H,8,11-13H2,1-3H3,(H,26,30)/t15-,21+,23-,25+/m1/s1
InChIKeyGQVDSZNBGQSPBH-XOLBCUTCSA-N
MW466.61 g/mol
LogP3.43
Rot. Bonds4

About (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23844599) has the molecular formula C25H30N2O5Si and a molecular weight of 466.61 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

Compound Name(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
PubChem CID23844599
Molecular FormulaC25H30N2O5Si
Molecular Weight466.61 g/mol
Exact Mass466.19
IUPAC Name(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
SMILESC[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)Nc1ccc(N3C(=O)CCc4ccccc43)cc12
InChIInChI=1S/C25H30N2O5Si/c1-15-23(33(2,3)31)21(12-13-28)32-25(15)18-14-17(9-10-19(18)26-24(25)30)27-20-7-5-4-6-16(20)8-11-22(27)29/h4-7,9-10,14-15,21,23,28,31H,8,11-13H2,1-3H3,(H,26,30)/t15-,21+,23-,25+/m1/s1
InChIKeyGQVDSZNBGQSPBH-XOLBCUTCSA-N
XLogP3.43
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
CID 23984416
(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
CID 23928255
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23928608
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one
CID 23956339
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-nitro-1-[[3-(2-oxo-3,4-dihydroquinolin-1-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23957265
N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23872396
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-1-[[3-(2-oxo-3,4-dihydroquinolin-1-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23985145
(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one
CID 23984118
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
CID 23984179
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one
CID 23900763
(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-methoxy-3'-methyl-1-[[4-(2-oxo-3,4-dihydroquinolin-1-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23984832
(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-methoxy-3'-methyl-1-[[3-(2-oxo-3,4-dihydroquinolin-1-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23901223

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?
The IUPAC name of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one (CID 23844599) is (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one.
What is the SMILES notation for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?
The canonical SMILES for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)Nc1ccc(N3C(=O)CCc4ccccc43)cc12.
What is the InChIKey of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?
The InChIKey is GQVDSZNBGQSPBH-XOLBCUTCSA-N. The full InChI is InChI=1S/C25H30N2O5Si/c1-15-23(33(2,3)31)21(12-13-28)32-25(15)18-14-17(9-10-19(18)26-24(25)30)27-20-7-5-4-6-16(20)8-11-22(27)29/h4-7,9-10,14-15,21,23,28,31H,8,11-13H2,1-3H3,(H,26,30)/t15-,21+,23-,25+/m1/s1.
What are the key properties of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 466.61 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23844599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).