(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione

C18H15N3O2 — CID 723021

IUPAC(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
SMILESC=CCN1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2ccccc21
InChIInChI=1S/C18H15N3O2/c1-2-11-21-15-10-6-4-8-13(15)18(17(21)23)19-14-9-5-3-7-12(14)16(22)20-18/h2-10,19H,1,11H2,(H,20,22)/t18-/m0/s1
InChIKeyMUOXIYDJUNICBE-SFHVURJKSA-N
MW305.34 g/mol
LogP2.23
Rot. Bonds2

About (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione

(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione (PubChem CID 723021) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
PubChem CID723021
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
SMILESC=CCN1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2ccccc21
InChIInChI=1S/C18H15N3O2/c1-2-11-21-15-10-6-4-8-13(15)18(17(21)23)19-14-9-5-3-7-12(14)16(22)20-18/h2-10,19H,1,11H2,(H,20,22)/t18-/m0/s1
InChIKeyMUOXIYDJUNICBE-SFHVURJKSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide
CID 3509796
(2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
CID 706184
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
(2R)-1'-benzyl-7'-methylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 102222382
10-prop-2-enyl-5H-phenazine
CID 67375827
5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102583375
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
1'-prop-2-ynylspiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
CID 154749384
(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one
CID 9177418
(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
CID 102050008
2-tert-butyl-2-methyl-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779575

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione (CID 723021) is (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione is C=CCN1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2ccccc21.
What is the InChIKey of (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione?
The InChIKey is MUOXIYDJUNICBE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-11-21-15-10-6-4-8-13(15)18(17(21)23)19-14-9-5-3-7-12(14)16(22)20-18/h2-10,19H,1,11H2,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione?
(2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione has a molecular weight of 305.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-prop-2-enylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 723021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).