3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione

C19H13ClN2O3 — CID 54683575

IUPAC3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione
SMILESO=c1c(O)c2c(=O)n(Cc3cccc(Cl)c3)ccn2c2ccccc12
InChIInChI=1S/C19H13ClN2O3/c20-13-5-3-4-12(10-13)11-21-8-9-22-15-7-2-1-6-14(15)17(23)18(24)16(22)19(21)25/h1-10,24H,11H2
InChIKeyKRDNEXQRIXYCRU-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.02
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione

3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione (PubChem CID 54683575) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione
PubChem CID54683575
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione
SMILESO=c1c(O)c2c(=O)n(Cc3cccc(Cl)c3)ccn2c2ccccc12
InChIInChI=1S/C19H13ClN2O3/c20-13-5-3-4-12(10-13)11-21-8-9-22-15-7-2-1-6-14(15)17(23)18(24)16(22)19(21)25/h1-10,24H,11H2
InChIKeyKRDNEXQRIXYCRU-UHFFFAOYSA-N
XLogP3.02
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 54683295
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
CID 54683443
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
2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione
CID 54683719
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-[2-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683372
1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286772
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-N-methylmethanesulfonamide
CID 54683356
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
7-(but-1-en-2-ylamino)-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 143003892
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683302

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione (CID 54683575) is 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione is O=c1c(O)c2c(=O)n(Cc3cccc(Cl)c3)ccn2c2ccccc12.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione?
The InChIKey is KRDNEXQRIXYCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-13-5-3-4-12(10-13)11-21-8-9-22-15-7-2-1-6-14(15)17(23)18(24)16(22)19(21)25/h1-10,24H,11H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione?
3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione has a molecular weight of 352.78 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione is sourced from PubChem (CID 54683575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).