2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride

C22H18Cl2N2O4 — CID 54683302

IUPAC2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
SMILESCOc1ccc(-c2cn3ccn(Cc4cccc(Cl)c4)c(=O)c3c(O)c2=O)cc1.Cl
InChIInChI=1S/C22H17ClN2O4.ClH/c1-29-17-7-5-15(6-8-17)18-13-24-9-10-25(12-14-3-2-4-16(23)11-14)22(28)19(24)21(27)20(18)26;/h2-11,13,27H,12H2,1H3;1H
InChIKeyRPQSJMPWNQQRFO-UHFFFAOYSA-N
MW445.30 g/mol
LogP3.97
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride

2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride (PubChem CID 54683302) has the molecular formula C22H18Cl2N2O4 and a molecular weight of 445.30 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
PubChem CID54683302
Molecular FormulaC22H18Cl2N2O4
Molecular Weight445.30 g/mol
Exact Mass444.06
IUPAC Name2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
SMILESCOc1ccc(-c2cn3ccn(Cc4cccc(Cl)c4)c(=O)c3c(O)c2=O)cc1.Cl
InChIInChI=1S/C22H17ClN2O4.ClH/c1-29-17-7-5-15(6-8-17)18-13-24-9-10-25(12-14-3-2-4-16(23)11-14)22(28)19(24)21(27)20(18)26;/h2-11,13,27H,12H2,1H3;1H
InChIKeyRPQSJMPWNQQRFO-UHFFFAOYSA-N
XLogP3.97
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-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]-9-hydroxy-7-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683538
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]-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]-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
ethyl 2-[[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carbonyl]amino]acetate
CID 90896031

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride (CID 54683302) is 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride is COc1ccc(-c2cn3ccn(Cc4cccc(Cl)c4)c(=O)c3c(O)c2=O)cc1.Cl.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The InChIKey is RPQSJMPWNQQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4.ClH/c1-29-17-7-5-15(6-8-17)18-13-24-9-10-25(12-14-3-2-4-16(23)11-14)22(28)19(24)21(27)20(18)26;/h2-11,13,27H,12H2,1H3;1H.
What are the key properties of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride has a molecular weight of 445.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride is sourced from PubChem (CID 54683302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).