methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate

C15H16N2O5 — CID 59340120

IUPACmethyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(O)c2c(C)cccc2n(C)c1=O
InChIInChI=1S/C15H16N2O5/c1-8-5-4-6-9-11(8)13(19)12(15(21)17(9)2)14(20)16-7-10(18)22-3/h4-6,19H,7H2,1-3H3,(H,16,20)
InChIKeyJWDREQPSXZENST-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.46
Rot. Bonds3

About methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate

methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate (PubChem CID 59340120) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate
PubChem CID59340120
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namemethyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(O)c2c(C)cccc2n(C)c1=O
InChIInChI=1S/C15H16N2O5/c1-8-5-4-6-9-11(8)13(19)12(15(21)17(9)2)14(20)16-7-10(18)22-3/h4-6,19H,7H2,1-3H3,(H,16,20)
InChIKeyJWDREQPSXZENST-UHFFFAOYSA-N
XLogP0.46
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate (CID 59340120) is methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1c(O)c2c(C)cccc2n(C)c1=O.
What is the InChIKey of methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate?
The InChIKey is JWDREQPSXZENST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8-5-4-6-9-11(8)13(19)12(15(21)17(9)2)14(20)16-7-10(18)22-3/h4-6,19H,7H2,1-3H3,(H,16,20).
What are the key properties of methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate?
methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate has a molecular weight of 304.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate is sourced from PubChem (CID 59340120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).