ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate

C20H19N3O4 — CID 162731512

IUPACethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2ccc3ncccc3c2)c(C)c1O
InChIInChI=1S/C20H19N3O4/c1-3-27-17(24)11-23-20(26)18-19(25)12(2)15(10-22-18)13-6-7-16-14(9-13)5-4-8-21-16/h4-10,25H,3,11H2,1-2H3,(H,23,26)
InChIKeyBTGAUUMZHVCXRI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.60
Rot. Bonds5

About ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate

ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate (PubChem CID 162731512) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate
PubChem CID162731512
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2ccc3ncccc3c2)c(C)c1O
InChIInChI=1S/C20H19N3O4/c1-3-27-17(24)11-23-20(26)18-19(25)12(2)15(10-22-18)13-6-7-16-14(9-13)5-4-8-21-16/h4-10,25H,3,11H2,1-2H3,(H,23,26)
InChIKeyBTGAUUMZHVCXRI-UHFFFAOYSA-N
XLogP2.60
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate (CID 162731512) is ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1ncc(-c2ccc3ncccc3c2)c(C)c1O.
What is the InChIKey of ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate?
The InChIKey is BTGAUUMZHVCXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-27-17(24)11-23-20(26)18-19(25)12(2)15(10-22-18)13-6-7-16-14(9-13)5-4-8-21-16/h4-10,25H,3,11H2,1-2H3,(H,23,26).
What are the key properties of ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate?
ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate has a molecular weight of 365.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 162731512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).