2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione

C21H19N3O4 — CID 46901853

IUPAC2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione
SMILESCc1nc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C1=C(CC(C)(C)CC1=O)O2
InChIInChI=1S/C21H19N3O4/c1-10-22-17(26)16-18(23-10)28-14-9-20(2,3)8-13(25)15(14)21(16)11-6-4-5-7-12(11)24-19(21)27/h4-7H,8-9H2,1-3H3,(H,24,27)(H,22,23,26)
InChIKeyVTIJVZQNLQSLHP-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.35
Rot. Bonds

About 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione

2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione (PubChem CID 46901853) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione.

Molecular Properties

Compound Name2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione
PubChem CID46901853
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione
SMILESCc1nc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C1=C(CC(C)(C)CC1=O)O2
InChIInChI=1S/C21H19N3O4/c1-10-22-17(26)16-18(23-10)28-14-9-20(2,3)8-13(25)15(14)21(16)11-6-4-5-7-12(11)24-19(21)27/h4-7H,8-9H2,1-3H3,(H,24,27)(H,22,23,26)
InChIKeyVTIJVZQNLQSLHP-UHFFFAOYSA-N
XLogP2.35
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione
CID 122387230
methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate
CID 29055384
(3R)-2'-amino-4-bromo-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 1099087
1',3',8',8'-tetramethyl-5-(trifluoromethoxy)spiro[1H-indole-3,5'-7,9-dihydrochromeno[2,3-d]pyrimidine]-2,2',4',6'-tetrone
CID 102447167
(3R)-3'-methyl-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-chromeno[3,2-d]pyrazole]-2,5'-dione
CID 139177211
(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
CID 7426343
2'-amino-5-iodo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 71553109
13-phenylspiro[17-oxa-14,15-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,12,15-hexaene-11,3'-1H-indole]-2',8,9-trione
CID 122227207
ethyl 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
CID 66557741
ethyl (3R)-2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
CID 97038245
5'-bromo-8,8-dimethylspiro[1,7,9,10-tetrahydropyrimido[4,5-b]quinoline-5,3'-1H-indole]-2,2',4,6-tetrone
CID 102490687
(3R)-1'-(3-chloro-2-methylphenyl)-7',7'-dimethyl-2,5'-dioxo-2'-pyrrol-1-ylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
CID 42556733

Frequently Asked Questions

What is the IUPAC name of 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione?
The IUPAC name of 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione (CID 46901853) is 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione.
What is the SMILES notation for 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione?
The canonical SMILES for 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione is Cc1nc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C1=C(CC(C)(C)CC1=O)O2.
What is the InChIKey of 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione?
The InChIKey is VTIJVZQNLQSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-10-22-17(26)16-18(23-10)28-14-9-20(2,3)8-13(25)15(14)21(16)11-6-4-5-7-12(11)24-19(21)27/h4-7H,8-9H2,1-3H3,(H,24,27)(H,22,23,26).
What are the key properties of 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione?
2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione has a molecular weight of 377.40 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione is sourced from PubChem (CID 46901853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).