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

C16H12Cl2N2O4 — CID 54681834

IUPAC2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2c(CO)cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C16H12Cl2N2O4/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/h1-5,7,21,23H,6,8H2
InChIKeyJGJYNOMUINCZCN-UHFFFAOYSA-N
MW367.19 g/mol
LogP2.01
Rot. Bonds3

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

2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54681834) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54681834
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2c(CO)cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C16H12Cl2N2O4/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/h1-5,7,21,23H,6,8H2
InChIKeyJGJYNOMUINCZCN-UHFFFAOYSA-N
XLogP2.01
TPSA83.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione with MolForge

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 54683540
5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
CID 80501773
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1482997
1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018071
1-[(3,4-dichlorophenyl)methyl]indol-5-ol
CID 151816964
2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165450
1-[(3,4-dichlorophenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 24757187
N-[3-[(3,4-dichlorophenyl)methyl]-4-oxopyrrolo[1,2-a][1,3,5]triazin-6-yl]-2-hydroxyacetamide
CID 66880388
5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 63799374
5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 55237113

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione (CID 54681834) is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione is O=c1ccn2c(CO)cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is JGJYNOMUINCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/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/h1-5,7,21,23H,6,8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione?
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 367.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54681834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).