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

C17H20N2O2 — CID 129165385

IUPAC7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCc1ccccc1C(C)N1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-4-6-15(12)13(2)18-7-8-19-11-17(21)16(20)9-14(19)10-18/h3-6,9,11,13,21H,7-8,10H2,1-2H3
InChIKeyJPMDGZGAYHCUQT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.44
Rot. Bonds2

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

7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165385) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165385
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCc1ccccc1C(C)N1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-4-6-15(12)13(2)18-7-8-19-11-17(21)16(20)9-14(19)10-18/h3-6,9,11,13,21H,7-8,10H2,1-2H3
InChIKeyJPMDGZGAYHCUQT-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165486
2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165374
2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165449
7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129181800
2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165343
1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 82974185
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
7-hydroxy-2-(2H-indazol-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165324
3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65063976
1-[1-(2-methylphenyl)ethyl]imidazolidine-2,4-dione
CID 79776764
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069636
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138484033

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165385) is 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is Cc1ccccc1C(C)N1CCn2cc(O)c(=O)cc2C1.
What is the InChIKey of 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is JPMDGZGAYHCUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-3-4-6-15(12)13(2)18-7-8-19-11-17(21)16(20)9-14(19)10-18/h3-6,9,11,13,21H,7-8,10H2,1-2H3.
What are the key properties of 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 284.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).