2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C17H20N2O4 — CID 129165364

IUPAC2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCOc1cccc(OC)c1CN1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C17H20N2O4/c1-22-16-4-3-5-17(23-2)13(16)10-18-6-7-19-11-15(21)14(20)8-12(19)9-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3
InChIKeyJLVQARRAOQJGCL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.59
Rot. Bonds4

About 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165364) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165364
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCOc1cccc(OC)c1CN1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C17H20N2O4/c1-22-16-4-3-5-17(23-2)13(16)10-18-6-7-19-11-15(21)14(20)8-12(19)9-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3
InChIKeyJLVQARRAOQJGCL-UHFFFAOYSA-N
XLogP1.59
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one 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

1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
CID 50952577
3-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzoic acid
CID 136550037
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol
CID 82980371
3-[4-[(2-chloro-6-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 104818946
2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165486
(2-fluorophenyl)-[2-hydroxy-4,6-dimethoxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 46884235
2-tert-butyl-6-[(2,6-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917329
6-[(2,6-dimethoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928964
6-[(2,6-dimethoxyphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917331
6-[(2,6-dimethoxyphenyl)methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917337
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165364) is 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is COc1cccc(OC)c1CN1CCn2cc(O)c(=O)cc2C1.
What is the InChIKey of 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is JLVQARRAOQJGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-16-4-3-5-17(23-2)13(16)10-18-6-7-19-11-15(21)14(20)8-12(19)9-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 316.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).