4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C17H19ClN4O2 — CID 11431119

IUPAC4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-4-19-13-7-10(2)20-17-16(13)21-15(23)9-22(17)14-6-5-11(24-3)8-12(14)18/h5-8H,4,9H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyWHUAURDGIJJOJZ-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.57
Rot. Bonds4

About 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 11431119) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID11431119
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-4-19-13-7-10(2)20-17-16(13)21-15(23)9-22(17)14-6-5-11(24-3)8-12(14)18/h5-8H,4,9H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyWHUAURDGIJJOJZ-UHFFFAOYSA-N
XLogP3.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 11431119) is 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is WHUAURDGIJJOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-4-19-13-7-10(2)20-17-16(13)21-15(23)9-22(17)14-6-5-11(24-3)8-12(14)18/h5-8H,4,9H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 346.82 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 11431119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).