1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione

C24H27N3O6 — CID 73485084

IUPAC1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCOc1cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)CC(C)(C)CC3=O)cc(OC)c1OC
InChIInChI=1S/C24H27N3O6/c1-24(2)10-13-18(14(28)11-24)17(12-8-15(31-5)20(33-7)16(9-12)32-6)19-21(25-13)26(3)23(30)27(4)22(19)29/h8-9H,10-11H2,1-7H3
InChIKeyWIMBQCRWGXUNRF-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.48
Rot. Bonds4

About 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione

1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 73485084) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID73485084
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCOc1cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)CC(C)(C)CC3=O)cc(OC)c1OC
InChIInChI=1S/C24H27N3O6/c1-24(2)10-13-18(14(28)11-24)17(12-8-15(31-5)20(33-7)16(9-12)32-6)19-21(25-13)26(3)23(30)27(4)22(19)29/h8-9H,10-11H2,1-7H3
InChIKeyWIMBQCRWGXUNRF-UHFFFAOYSA-N
XLogP2.48
TPSA101.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione (CID 73485084) is 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione is COc1cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)CC(C)(C)CC3=O)cc(OC)c1OC.
What is the InChIKey of 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is WIMBQCRWGXUNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-24(2)10-13-18(14(28)11-24)17(12-8-15(31-5)20(33-7)16(9-12)32-6)19-21(25-13)26(3)23(30)27(4)22(19)29/h8-9H,10-11H2,1-7H3.
What are the key properties of 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 453.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8,8-tetramethyl-5-(3,4,5-trimethoxyphenyl)-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 73485084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).