5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C19H17N3O2 — CID 78788427

IUPAC5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESC=CCN1C(=O)c2ccccc2NC12C(=O)Nc1ccc(C)cc12
InChIInChI=1S/C19H17N3O2/c1-3-10-22-17(23)13-6-4-5-7-15(13)21-19(22)14-11-12(2)8-9-16(14)20-18(19)24/h3-9,11,21H,1,10H2,2H3,(H,20,24)
InChIKeyLFMLICVZOKUPBM-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.85
Rot. Bonds2

About 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 78788427) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID78788427
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESC=CCN1C(=O)c2ccccc2NC12C(=O)Nc1ccc(C)cc12
InChIInChI=1S/C19H17N3O2/c1-3-10-22-17(23)13-6-4-5-7-15(13)21-19(22)14-11-12(2)8-9-16(14)20-18(19)24/h3-9,11,21H,1,10H2,2H3,(H,20,24)
InChIKeyLFMLICVZOKUPBM-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 78788427) is 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is C=CCN1C(=O)c2ccccc2NC12C(=O)Nc1ccc(C)cc12.
What is the InChIKey of 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is LFMLICVZOKUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-3-10-22-17(23)13-6-4-5-7-15(13)21-19(22)14-11-12(2)8-9-16(14)20-18(19)24/h3-9,11,21H,1,10H2,2H3,(H,20,24).
What are the key properties of 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 319.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 78788427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).