4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C23H32N4O4 — CID 24768335

IUPAC4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCN(CCOC)c1cc(C)nc2c1NC(=O)CN2c1cc(OC)c(OC)cc1C
InChIInChI=1S/C23H32N4O4/c1-7-8-26(9-10-29-4)18-12-16(3)24-23-22(18)25-21(28)14-27(23)17-13-20(31-6)19(30-5)11-15(17)2/h11-13H,7-10,14H2,1-6H3,(H,25,28)
InChIKeyUSWMKGDQSNWJEC-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.67
Rot. Bonds9

About 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 24768335) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID24768335
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCN(CCOC)c1cc(C)nc2c1NC(=O)CN2c1cc(OC)c(OC)cc1C
InChIInChI=1S/C23H32N4O4/c1-7-8-26(9-10-29-4)18-12-16(3)24-23-22(18)25-21(28)14-27(23)17-13-20(31-6)19(30-5)11-15(17)2/h11-13H,7-10,14H2,1-6H3,(H,25,28)
InChIKeyUSWMKGDQSNWJEC-UHFFFAOYSA-N
XLogP3.67
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 24768335) is 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCN(CCOC)c1cc(C)nc2c1NC(=O)CN2c1cc(OC)c(OC)cc1C.
What is the InChIKey of 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is USWMKGDQSNWJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-7-8-26(9-10-29-4)18-12-16(3)24-23-22(18)25-21(28)14-27(23)17-13-20(31-6)19(30-5)11-15(17)2/h11-13H,7-10,14H2,1-6H3,(H,25,28).
What are the key properties of 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 428.53 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethoxy-2-methylphenyl)-8-[2-methoxyethyl(propyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 24768335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).