1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione

C20H20N4O3 — CID 73485056

IUPAC1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCn1c(=O)c2c(-c3ccncc3)c3c(nc2n(C)c1=O)CC(C)(C)CC3=O
InChIInChI=1S/C20H20N4O3/c1-20(2)9-12-15(13(25)10-20)14(11-5-7-21-8-6-11)16-17(22-12)23(3)19(27)24(4)18(16)26/h5-8H,9-10H2,1-4H3
InChIKeyZVFRBAIYZXARLM-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.85
Rot. Bonds1

About 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione

1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 73485056) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID73485056
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCn1c(=O)c2c(-c3ccncc3)c3c(nc2n(C)c1=O)CC(C)(C)CC3=O
InChIInChI=1S/C20H20N4O3/c1-20(2)9-12-15(13(25)10-20)14(11-5-7-21-8-6-11)16-17(22-12)23(3)19(27)24(4)18(16)26/h5-8H,9-10H2,1-4H3
InChIKeyZVFRBAIYZXARLM-UHFFFAOYSA-N
XLogP1.85
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione (CID 73485056) is 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione is Cn1c(=O)c2c(-c3ccncc3)c3c(nc2n(C)c1=O)CC(C)(C)CC3=O.
What is the InChIKey of 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is ZVFRBAIYZXARLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(2)9-12-15(13(25)10-20)14(11-5-7-21-8-6-11)16-17(22-12)23(3)19(27)24(4)18(16)26/h5-8H,9-10H2,1-4H3.
What are the key properties of 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione?
1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 364.41 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 73485056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).