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

C15H13ClN2O3 — CID 54683626

IUPAC2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-11-3-1-10(2-4-11)9-18-8-7-17-6-5-12(19)14(20)13(17)15(18)21/h1-6,20H,7-9H2
InChIKeyQPZBRLWCENNONT-UHFFFAOYSA-N
MW304.73 g/mol
LogP1.86
Rot. Bonds2

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

2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683626) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683626
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-11-3-1-10(2-4-11)9-18-8-7-17-6-5-12(19)14(20)13(17)15(18)21/h1-6,20H,7-9H2
InChIKeyQPZBRLWCENNONT-UHFFFAOYSA-N
XLogP1.86
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-Chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 54713043
1-[(4-chlorophenyl)-phenylmethyl]-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 68096935
2-[(2,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165316
2-[(2,6-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165356
2-[(2-chlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165458
2-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165460
2-[(2-chloro-4-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165543
1-(4-chlorobenzyl)-3-hydroxypyridin-2(1H)-one
CID 52912219
US10202379, Reference Example 199
CID 67471671
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54683626) is 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is QPZBRLWCENNONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-3-1-10(2-4-11)9-18-8-7-17-6-5-12(19)14(20)13(17)15(18)21/h1-6,20H,7-9H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 304.73 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).