2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C16H16Cl2N2O2 — CID 129165486

IUPAC2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCC(c1cc(Cl)ccc1Cl)N1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C16H16Cl2N2O2/c1-10(13-6-11(17)2-3-14(13)18)19-4-5-20-9-16(22)15(21)7-12(20)8-19/h2-3,6-7,9-10,22H,4-5,8H2,1H3
InChIKeyNNWLVOUWBSFMQZ-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.44
Rot. Bonds2

About 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165486) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165486
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCC(c1cc(Cl)ccc1Cl)N1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C16H16Cl2N2O2/c1-10(13-6-11(17)2-3-14(13)18)19-4-5-20-9-16(22)15(21)7-12(20)8-19/h2-3,6-7,9-10,22H,4-5,8H2,1H3
InChIKeyNNWLVOUWBSFMQZ-UHFFFAOYSA-N
XLogP3.44
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165385
2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165449
2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165374
7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129181800
4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol
CID 82976879
4-chloro-2-(1-piperidin-1-ylethyl)phenol
CID 82977404
1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine
CID 65244974
4-chloro-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 82975216
4-chloro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82975278
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-4-chlorophenol
CID 82980108
5-[1-(2,5-dichlorophenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211770
4-chloro-2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82980127

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165486) is 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CC(c1cc(Cl)ccc1Cl)N1CCn2cc(O)c(=O)cc2C1.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is NNWLVOUWBSFMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10(13-6-11(17)2-3-14(13)18)19-4-5-20-9-16(22)15(21)7-12(20)8-19/h2-3,6-7,9-10,22H,4-5,8H2,1H3.
What are the key properties of 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 339.22 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).