2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione

C19H13ClN4O3 — CID 54683443

IUPAC2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1c(-c2ncccn2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C19H13ClN4O3/c20-13-4-1-3-12(9-13)10-24-8-7-23-11-14(18-21-5-2-6-22-18)16(25)17(26)15(23)19(24)27/h1-9,11,26H,10H2
InChIKeyMQQJRDCUHPYQKZ-UHFFFAOYSA-N
MW380.79 g/mol
LogP2.33
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione

2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683443) has the molecular formula C19H13ClN4O3 and a molecular weight of 380.79 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683443
Molecular FormulaC19H13ClN4O3
Molecular Weight380.79 g/mol
Exact Mass380.07
IUPAC Name2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1c(-c2ncccn2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C19H13ClN4O3/c20-13-4-1-3-12(9-13)10-24-8-7-23-11-14(18-21-5-2-6-22-18)16(25)17(26)15(23)19(24)27/h1-9,11,26H,10H2
InChIKeyMQQJRDCUHPYQKZ-UHFFFAOYSA-N
XLogP2.33
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683538
7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 54683295
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]-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
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide
CID 54705293
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide
CID 54683431
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-N-methylmethanesulfonamide
CID 54683356
7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 143003892

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione (CID 54683443) is 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione is O=c1c(-c2ncccn2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is MQQJRDCUHPYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3/c20-13-4-1-3-12(9-13)10-24-8-7-23-11-14(18-21-5-2-6-22-18)16(25)17(26)15(23)19(24)27/h1-9,11,26H,10H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 380.79 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).