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

C22H23N3O4 — CID 73485040

IUPAC5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCOc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C22H23N3O4/c1-22(2)10-14-17(15(26)11-22)16(12-6-8-13(29-5)9-7-12)18-19(23-14)24(3)21(28)25(4)20(18)27/h6-9H,10-11H2,1-5H3
InChIKeyOJDXLHLCZTVKEI-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.46
Rot. Bonds2

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

5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 73485040) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID73485040
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCOc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C22H23N3O4/c1-22(2)10-14-17(15(26)11-22)16(12-6-8-13(29-5)9-7-12)18-19(23-14)24(3)21(28)25(4)20(18)27/h6-9H,10-11H2,1-5H3
InChIKeyOJDXLHLCZTVKEI-UHFFFAOYSA-N
XLogP2.46
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione (CID 73485040) is 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione is COc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)CC(C)(C)CC3=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is OJDXLHLCZTVKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-22(2)10-14-17(15(26)11-22)16(12-6-8-13(29-5)9-7-12)18-19(23-14)24(3)21(28)25(4)20(18)27/h6-9H,10-11H2,1-5H3.
What are the key properties of 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 393.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 73485040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).