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

C25H23N3O3 — CID 52512911

IUPAC(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCOCCN1C(=O)c2ccccc2N[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C25H23N3O3/c1-31-16-15-28-23(29)19-11-5-7-13-21(19)26-25(28)20-12-6-8-14-22(20)27(24(25)30)17-18-9-3-2-4-10-18/h2-14,26H,15-17H2,1H3/t25-/m1/s1
InChIKeyZOAGHAHCUFRUAI-RUZDIDTESA-N
MW413.48 g/mol
LogP3.60
Rot. Bonds5

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

(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 52512911) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID52512911
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCOCCN1C(=O)c2ccccc2N[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C25H23N3O3/c1-31-16-15-28-23(29)19-11-5-7-13-21(19)26-25(28)20-12-6-8-14-22(20)27(24(25)30)17-18-9-3-2-4-10-18/h2-14,26H,15-17H2,1H3/t25-/m1/s1
InChIKeyZOAGHAHCUFRUAI-RUZDIDTESA-N
XLogP3.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Moquizone
CID 63216
1-Morpholin-4-ylmethyl-1H-indole-2,3-dione
CID 262696
4-Morpholineacetamide, N-(2-((phenylamino)carbonyl)phenyl)-
CID 217304
Pelanserin
CID 65435
2-(Dimethoxymethyl)-3-(4-fluorophenyl)-1,2,3-trihydroquinazolin-4-one
CID 5018482
1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl]-2,4(1H,3H)-quinazolinedione
CID 19087731
2-[(anilinocarbonyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812680
3-(3-morpholinopropyl)-2-phenyl-2,3-dihydro-4(1H)-quinazolinone
CID 2813224
3-[2-(2-oxo-1-imidazolidinyl)ethyl]-2-phenyl-2,3-dihydro-4(1H)-quinazolinone
CID 2813225
2-(4-Methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one
CID 2815279
N-Cyclohexyl-2-(3-ethyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl)-acetamide
CID 6502162
N-(2-Cyclohex-1-enyl-ethyl)-2-(3-methyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl)-acetamide
CID 6502430

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 52512911) is (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione is COCCN1C(=O)c2ccccc2N[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is ZOAGHAHCUFRUAI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23N3O3/c1-31-16-15-28-23(29)19-11-5-7-13-21(19)26-25(28)20-12-6-8-14-22(20)27(24(25)30)17-18-9-3-2-4-10-18/h2-14,26H,15-17H2,1H3/t25-/m1/s1.
What are the key properties of (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 413.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 52512911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).