4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

C19H26N2O6 — CID 67471611

IUPAC4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESCOCCN1CC(CC2CCCCC2)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H26N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h11-13,23H,2-10H2,1H3,(H,25,26)
InChIKeyHCIMHTPMHOMJQP-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.87
Rot. Bonds6

About 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 67471611) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
PubChem CID67471611
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESCOCCN1CC(CC2CCCCC2)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H26N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h11-13,23H,2-10H2,1H3,(H,25,26)
InChIKeyHCIMHTPMHOMJQP-UHFFFAOYSA-N
XLogP1.87
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (CID 67471611) is 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is COCCN1CC(CC2CCCCC2)n2cc(C(=O)O)c(=O)c(O)c2C1=O.
What is the InChIKey of 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is HCIMHTPMHOMJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h11-13,23H,2-10H2,1H3,(H,25,26).
What are the key properties of 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 67471611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).