2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide

C21H22N4O3 — CID 3509796

IUPAC2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)C2(NC(=O)c3ccccc3N2)c2ccccc21
InChIInChI=1S/C21H22N4O3/c1-3-24(4-2)18(26)13-25-17-12-8-6-10-15(17)21(20(25)28)22-16-11-7-5-9-14(16)19(27)23-21/h5-12,22H,3-4,13H2,1-2H3,(H,23,27)
InChIKeyJYINQPZBMPVSQG-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.91
Rot. Bonds4

About 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide

2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide (PubChem CID 3509796) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide
PubChem CID3509796
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)C2(NC(=O)c3ccccc3N2)c2ccccc21
InChIInChI=1S/C21H22N4O3/c1-3-24(4-2)18(26)13-25-17-12-8-6-10-15(17)21(20(25)28)22-16-11-7-5-9-14(16)19(27)23-21/h5-12,22H,3-4,13H2,1-2H3,(H,23,27)
InChIKeyJYINQPZBMPVSQG-UHFFFAOYSA-N
XLogP1.91
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide (CID 3509796) is 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1C(=O)C2(NC(=O)c3ccccc3N2)c2ccccc21.
What is the InChIKey of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide?
The InChIKey is JYINQPZBMPVSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-24(4-2)18(26)13-25-17-12-8-6-10-15(17)21(20(25)28)22-16-11-7-5-9-14(16)19(27)23-21/h5-12,22H,3-4,13H2,1-2H3,(H,23,27).
What are the key properties of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide?
2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide has a molecular weight of 378.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide is sourced from PubChem (CID 3509796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).