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

C25H23N3O3 — CID 42583440

IUPAC(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(CC)c2ccccc23)cc1
InChIInChI=1S/C25H23N3O3/c1-3-27-22-12-8-6-10-20(22)25(24(27)30)26-21-11-7-5-9-19(21)23(29)28(25)17-13-15-18(16-14-17)31-4-2/h5-16,26H,3-4H2,1-2H3/t25-/m1/s1
InChIKeyOGTCCNKUCAZNMO-RUZDIDTESA-N
MW413.48 g/mol
LogP4.38
Rot. Bonds4

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

(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 42583440) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID42583440
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(CC)c2ccccc23)cc1
InChIInChI=1S/C25H23N3O3/c1-3-27-22-12-8-6-10-20(22)25(24(27)30)26-21-11-7-5-9-19(21)23(29)28(25)17-13-15-18(16-14-17)31-4-2/h5-16,26H,3-4H2,1-2H3/t25-/m1/s1
InChIKeyOGTCCNKUCAZNMO-RUZDIDTESA-N
XLogP4.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457149
(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 703738
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150
3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 91962328
(2R)-3-(3-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52507364
(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52512911
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 102480512
(2R)-3-(2-morpholin-4-ylethyl)-1'-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881457
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 42583440) is (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is CCOc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(CC)c2ccccc23)cc1.
What is the InChIKey of (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is OGTCCNKUCAZNMO-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-27-22-12-8-6-10-20(22)25(24(27)30)26-21-11-7-5-9-19(21)23(29)28(25)17-13-15-18(16-14-17)31-4-2/h5-16,26H,3-4H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 413.48 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 42583440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).