10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione

C23H22N4O4 — CID 91279752

IUPAC10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
SMILESCC(C)Cc1nccc2c(=O)n(-c3cccc4c3C3CC(=O)CCN3C4=O)c(=O)[nH]c12
InChIInChI=1S/C23H22N4O4/c1-12(2)10-16-20-15(6-8-24-16)22(30)27(23(31)25-20)17-5-3-4-14-19(17)18-11-13(28)7-9-26(18)21(14)29/h3-6,8,12,18H,7,9-11H2,1-2H3,(H,25,31)
InChIKeyGLJVESYQYJWNKF-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.13
Rot. Bonds3

About 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione

10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione (PubChem CID 91279752) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione.

Molecular Properties

Compound Name10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
PubChem CID91279752
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
SMILESCC(C)Cc1nccc2c(=O)n(-c3cccc4c3C3CC(=O)CCN3C4=O)c(=O)[nH]c12
InChIInChI=1S/C23H22N4O4/c1-12(2)10-16-20-15(6-8-24-16)22(30)27(23(31)25-20)17-5-3-4-14-19(17)18-11-13(28)7-9-26(18)21(14)29/h3-6,8,12,18H,7,9-11H2,1-2H3,(H,25,31)
InChIKeyGLJVESYQYJWNKF-UHFFFAOYSA-N
XLogP2.13
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The IUPAC name of 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione (CID 91279752) is 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione.
What is the SMILES notation for 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The canonical SMILES for 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione is CC(C)Cc1nccc2c(=O)n(-c3cccc4c3C3CC(=O)CCN3C4=O)c(=O)[nH]c12.
What is the InChIKey of 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The InChIKey is GLJVESYQYJWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-12(2)10-16-20-15(6-8-24-16)22(30)27(23(31)25-20)17-5-3-4-14-19(17)18-11-13(28)7-9-26(18)21(14)29/h3-6,8,12,18H,7,9-11H2,1-2H3,(H,25,31).
What are the key properties of 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione has a molecular weight of 418.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione is sourced from PubChem (CID 91279752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).