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

C19H18ClN3O4 — CID 54683431

IUPACN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C19H18ClN3O4/c1-11(2)18(26)21-14-10-22-6-7-23(9-12-4-3-5-13(20)8-12)19(27)15(22)17(25)16(14)24/h3-8,10-11,25H,9H2,1-2H3,(H,21,26)
InChIKeyNIQUBCZSRBMJSH-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.46
Rot. Bonds4

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

N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide (PubChem CID 54683431) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide
PubChem CID54683431
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C19H18ClN3O4/c1-11(2)18(26)21-14-10-22-6-7-23(9-12-4-3-5-13(20)8-12)19(27)15(22)17(25)16(14)24/h3-8,10-11,25H,9H2,1-2H3,(H,21,26)
InChIKeyNIQUBCZSRBMJSH-UHFFFAOYSA-N
XLogP2.46
TPSA92.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-2-methylpropanamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide (CID 54683431) is N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide is CC(C)C(=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]-2-methylpropanamide?
The InChIKey is NIQUBCZSRBMJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-11(2)18(26)21-14-10-22-6-7-23(9-12-4-3-5-13(20)8-12)19(27)15(22)17(25)16(14)24/h3-8,10-11,25H,9H2,1-2H3,(H,21,26).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide?
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide has a molecular weight of 387.82 g/mol, XLogP of 2.46, 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]-2-methylpropanamide is sourced from PubChem (CID 54683431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).