2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione

C19H20ClN3O3 — CID 54683534

IUPAC2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESCCN(CC)c1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C19H20ClN3O3/c1-3-21(4-2)15-12-22-8-9-23(11-13-6-5-7-14(20)10-13)19(26)16(22)18(25)17(15)24/h5-10,12,25H,3-4,11H2,1-2H3
InChIKeyADGCYORWJYOAKS-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.71
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione

2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683534) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683534
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESCCN(CC)c1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C19H20ClN3O3/c1-3-21(4-2)15-12-22-8-9-23(11-13-6-5-7-14(20)10-13)19(26)16(22)18(25)17(15)24/h5-10,12,25H,3-4,11H2,1-2H3
InChIKeyADGCYORWJYOAKS-UHFFFAOYSA-N
XLogP2.71
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[bis(3-chlorophenyl)methyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 54736412
1-[(3-chlorophenyl)-phenylmethyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 68097074
2-[(2-chlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165458
US10202379, Reference Example 241
CID 70368658
US10202379, Reference Example 199
CID 67471671
[7-Bromo-2-[(3-chlorophenyl)methyl]-1,8-dioxo-pyrido[1,2-a]pyrazin-9-yl] methanesulfonate
CID 5277834
2-[(3,4-Dichlorophenyl)methyl]-9-hydroxy-4-(2-methylsulfanylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54677657
2-[(3-Chlorophenyl)methyl]-9-hydroxy-4-isopropyl-pyrido[1,2-a]pyrazine-1,8-dione
CID 54677948
2-[(3,4-Dichlorophenyl)methyl]-9-hydroxy-4-propyl-pyrido[1,2-a]pyrazine-1,8-dione
CID 54678877
4-Benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54678890
3-Benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54680886
2-[(3,4-Dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione
CID 54681834

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (CID 54683534) is 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is CCN(CC)c1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is ADGCYORWJYOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-3-21(4-2)15-12-22-8-9-23(11-13-6-5-7-14(20)10-13)19(26)16(22)18(25)17(15)24/h5-10,12,25H,3-4,11H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 373.84 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).