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

C17H20N2O2 — CID 129165556

IUPAC2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCc1cccc(CN2CCn3cc(O)c(=O)cc3C2)c1C
InChIInChI=1S/C17H20N2O2/c1-12-4-3-5-14(13(12)2)9-18-6-7-19-11-17(21)16(20)8-15(19)10-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3
InChIKeyPUYUJSHHBWWWRE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds2

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

2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165556) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165556
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCc1cccc(CN2CCn3cc(O)c(=O)cc3C2)c1C
InChIInChI=1S/C17H20N2O2/c1-12-4-3-5-14(13(12)2)9-18-6-7-19-11-17(21)16(20)8-15(19)10-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3
InChIKeyPUYUJSHHBWWWRE-UHFFFAOYSA-N
XLogP2.19
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165556) is 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is Cc1cccc(CN2CCn3cc(O)c(=O)cc3C2)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is PUYUJSHHBWWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-4-3-5-14(13(12)2)9-18-6-7-19-11-17(21)16(20)8-15(19)10-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 284.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).