N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide

C18H16ClN3O4 — CID 54705293

IUPACN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide
SMILESCCC(=O)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C18H16ClN3O4/c1-2-14(23)20-13-10-21-6-7-22(9-11-4-3-5-12(19)8-11)18(26)15(21)17(25)16(13)24/h3-8,10,25H,2,9H2,1H3,(H,20,23)
InChIKeyFFEIRFZQFGBDBV-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.22
Rot. Bonds4

About N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide

N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide (PubChem CID 54705293) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide
PubChem CID54705293
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide
SMILESCCC(=O)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C18H16ClN3O4/c1-2-14(23)20-13-10-21-6-7-22(9-11-4-3-5-12(19)8-11)18(26)15(21)17(25)16(13)24/h3-8,10,25H,2,9H2,1H3,(H,20,23)
InChIKeyFFEIRFZQFGBDBV-UHFFFAOYSA-N
XLogP2.22
TPSA92.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 143003892
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide
CID 54683431
7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 54683295
2-[(3-chlorophenyl)methyl]-7-(2,2-dimethylpropyl)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683597
2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 54683534
ethyl 2-[[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carbonyl]amino]acetate
CID 90896031
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
CID 54683443
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-N-methylmethanesulfonamide
CID 54683356
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683302
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-[2-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683372
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
CID 54705383
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
CID 54683579

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide (CID 54705293) is N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide is CCC(=O)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide?
The InChIKey is FFEIRFZQFGBDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-2-14(23)20-13-10-21-6-7-22(9-11-4-3-5-12(19)8-11)18(26)15(21)17(25)16(13)24/h3-8,10,25H,2,9H2,1H3,(H,20,23).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide?
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide has a molecular weight of 373.80 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide is sourced from PubChem (CID 54705293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).