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

C24H21N3O2 — CID 41457150

IUPAC(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H21N3O2/c1-2-26-21-15-9-7-13-19(21)24(23(26)29)25-20-14-8-6-12-18(20)22(28)27(24)16-17-10-4-3-5-11-17/h3-15,25H,2,16H2,1H3/t24-/m1/s1
InChIKeyGVPVBYNTKUIGGV-XMMPIXPASA-N
MW383.45 g/mol
LogP3.97
Rot. Bonds3

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

(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 41457150) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID41457150
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H21N3O2/c1-2-26-21-15-9-7-13-19(21)24(23(26)29)25-20-14-8-6-12-18(20)22(28)27(24)16-17-10-4-3-5-11-17/h3-15,25H,2,16H2,1H3/t24-/m1/s1
InChIKeyGVPVBYNTKUIGGV-XMMPIXPASA-N
XLogP3.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52512911
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440
(2R)-3-(2-morpholin-4-ylethyl)-1'-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881457
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457149
(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 29109792
3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
CID 54779372
(2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 51717405
3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 91962328
3-benzyl-2-methyl-2-(2-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779290
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 41457150) is (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21.
What is the InChIKey of (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is GVPVBYNTKUIGGV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-26-21-15-9-7-13-19(21)24(23(26)29)25-20-14-8-6-12-18(20)22(28)27(24)16-17-10-4-3-5-11-17/h3-15,25H,2,16H2,1H3/t24-/m1/s1.
What are the key properties of (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 383.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 41457150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).