(2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione

C23H18N2O3 — CID 29102761

IUPAC(2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)N2c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18N2O3/c1-2-24-19-14-8-7-13-18(19)23(22(24)27)25(16-10-4-3-5-11-16)21(26)17-12-6-9-15-20(17)28-23/h3-15H,2H2,1H3/t23-/m0/s1
InChIKeyFWUIZJBSJPGFOG-QHCPKHFHSA-N
MW370.41 g/mol
LogP3.95
Rot. Bonds2

About (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione

(2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione (PubChem CID 29102761) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione
PubChem CID29102761
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)N2c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18N2O3/c1-2-24-19-14-8-7-13-18(19)23(22(24)27)25(16-10-4-3-5-11-16)21(26)17-12-6-9-15-20(17)28-23/h3-15H,2H2,1H3/t23-/m0/s1
InChIKeyFWUIZJBSJPGFOG-QHCPKHFHSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 17121937
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440
(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457149
(2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one
CID 1038366
(2S)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387422
(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387421
10-ethylspiro[acridine-9,9'-fluorene]
CID 118231831
2,2-ditert-butyl-3-methyl-1,3-benzoxazin-4-one
CID 58564303
1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one
CID 144897023
1,3-diethyl-3-methylsulfanylindol-2-one
CID 170423033
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione (CID 29102761) is (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione is CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)N2c2ccccc2)c2ccccc21.
What is the InChIKey of (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione?
The InChIKey is FWUIZJBSJPGFOG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-2-24-19-14-8-7-13-18(19)23(22(24)27)25(16-10-4-3-5-11-16)21(26)17-12-6-9-15-20(17)28-23/h3-15H,2H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione?
(2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione has a molecular weight of 370.41 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-ethyl-3-phenylspiro[1,3-benzoxazine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 29102761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).