(2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

C26H26N4O2 — CID 51717405

IUPAC(2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C[C@@H](c2ccccc2)N(C)C)c2ccccc21
InChIInChI=1S/C26H26N4O2/c1-28(2)23(18-11-5-4-6-12-18)17-30-24(31)19-13-7-9-15-21(19)27-26(30)20-14-8-10-16-22(20)29(3)25(26)32/h4-16,23,27H,17H2,1-3H3/t23-,26+/m0/s1
InChIKeyZUMVUJUNFASJBG-JYFHCDHNSA-N
MW426.52 g/mol
LogP3.69
Rot. Bonds4

About (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

(2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 51717405) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID51717405
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C[C@@H](c2ccccc2)N(C)C)c2ccccc21
InChIInChI=1S/C26H26N4O2/c1-28(2)23(18-11-5-4-6-12-18)17-30-24(31)19-13-7-9-15-21(19)27-26(30)20-14-8-10-16-22(20)29(3)25(26)32/h4-16,23,27H,17H2,1-3H3/t23-,26+/m0/s1
InChIKeyZUMVUJUNFASJBG-JYFHCDHNSA-N
XLogP3.69
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 29109792
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150
(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
(2R)-3-(2-morpholin-4-ylethyl)-1'-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881457
(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457149
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 138057447
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440
3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one
CID 54778507

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 51717405) is (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C[C@@H](c2ccccc2)N(C)C)c2ccccc21.
What is the InChIKey of (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is ZUMVUJUNFASJBG-JYFHCDHNSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-28(2)23(18-11-5-4-6-12-18)17-30-24(31)19-13-7-9-15-21(19)27-26(30)20-14-8-10-16-22(20)29(3)25(26)32/h4-16,23,27H,17H2,1-3H3/t23-,26+/m0/s1.
What are the key properties of (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
(2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 426.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 51717405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).