2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C16H14Cl2N2O4 — CID 54683304

IUPAC2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2C(CO)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O4/c17-11-2-1-9(5-12(11)18)6-19-7-10(8-21)20-4-3-13(22)15(23)14(20)16(19)24/h1-5,10,21,23H,6-8H2
InChIKeyGYMPJZMZYMKSRO-UHFFFAOYSA-N
MW369.20 g/mol
LogP2.05
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683304) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683304
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2C(CO)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O4/c17-11-2-1-9(5-12(11)18)6-19-7-10(8-21)20-4-3-13(22)15(23)14(20)16(19)24/h1-5,10,21,23H,6-8H2
InChIKeyGYMPJZMZYMKSRO-UHFFFAOYSA-N
XLogP2.05
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54683304) is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)ccn2C(CO)CN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is GYMPJZMZYMKSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c17-11-2-1-9(5-12(11)18)6-19-7-10(8-21)20-4-3-13(22)15(23)14(20)16(19)24/h1-5,10,21,23H,6-8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 369.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).