8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C20H19N3O3 — CID 126787587

IUPAC8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1ccnc2c1NC(=O)CN2C(=O)c1oc2c(C)ccc(C)c2c1C
InChIInChI=1S/C20H19N3O3/c1-10-5-6-12(3)17-15(10)13(4)18(26-17)20(25)23-9-14(24)22-16-11(2)7-8-21-19(16)23/h5-8H,9H2,1-4H3,(H,22,24)
InChIKeyKJZFKDOPMDATOZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.66
Rot. Bonds1

About 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 126787587) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID126787587
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1ccnc2c1NC(=O)CN2C(=O)c1oc2c(C)ccc(C)c2c1C
InChIInChI=1S/C20H19N3O3/c1-10-5-6-12(3)17-15(10)13(4)18(26-17)20(25)23-9-14(24)22-16-11(2)7-8-21-19(16)23/h5-8H,9H2,1-4H3,(H,22,24)
InChIKeyKJZFKDOPMDATOZ-UHFFFAOYSA-N
XLogP3.66
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 126787587) is 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is Cc1ccnc2c1NC(=O)CN2C(=O)c1oc2c(C)ccc(C)c2c1C.
What is the InChIKey of 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is KJZFKDOPMDATOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-10-5-6-12(3)17-15(10)13(4)18(26-17)20(25)23-9-14(24)22-16-11(2)7-8-21-19(16)23/h5-8H,9H2,1-4H3,(H,22,24).
What are the key properties of 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 349.39 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 126787587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).