2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione

C17H14Cl2N2O4 — CID 54683283

IUPAC2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2c(CCO)cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C17H14Cl2N2O4/c18-12-2-1-10(7-13(12)19)8-20-9-11(4-6-22)21-5-3-14(23)16(24)15(21)17(20)25/h1-3,5,7,9,22,24H,4,6,8H2
InChIKeyCZTSSCCSXOLOHJ-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.06
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione

2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683283) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683283
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2c(CCO)cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C17H14Cl2N2O4/c18-12-2-1-10(7-13(12)19)8-20-9-11(4-6-22)21-5-3-14(23)16(24)15(21)17(20)25/h1-3,5,7,9,22,24H,4,6,8H2
InChIKeyCZTSSCCSXOLOHJ-UHFFFAOYSA-N
XLogP2.06
TPSA83.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione (CID 54683283) is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione is O=c1ccn2c(CCO)cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is CZTSSCCSXOLOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c18-12-2-1-10(7-13(12)19)8-20-9-11(4-6-22)21-5-3-14(23)16(24)15(21)17(20)25/h1-3,5,7,9,22,24H,4,6,8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione?
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 381.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).