2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C15H14Cl2N2O2 — CID 129165450

IUPAC2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C15H14Cl2N2O2/c16-12-2-1-10(5-13(12)17)7-18-3-4-19-9-15(21)14(20)6-11(19)8-18/h1-2,5-6,9,21H,3-4,7-8H2
InChIKeyNQZWHFSTYFOLDT-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.88
Rot. Bonds2

About 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165450) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165450
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C15H14Cl2N2O2/c16-12-2-1-10(5-13(12)17)7-18-3-4-19-9-15(21)14(20)6-11(19)8-18/h1-2,5-6,9,21H,3-4,7-8H2
InChIKeyNQZWHFSTYFOLDT-UHFFFAOYSA-N
XLogP2.88
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165450) is 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(Cc1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is NQZWHFSTYFOLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-12-2-1-10(5-13(12)17)7-18-3-4-19-9-15(21)14(20)6-11(19)8-18/h1-2,5-6,9,21H,3-4,7-8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 325.19 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).