3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid

C17H16N4O4 — CID 108801795

IUPAC3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NC(CO)C(=O)O)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C17H16N4O4/c1-10-12(16(23)20-14(9-22)17(24)25)8-18-21(10)15-7-6-11-4-2-3-5-13(11)19-15/h2-8,14,22H,9H2,1H3,(H,20,23)(H,24,25)
InChIKeyQJQPZFUZJJFOGO-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.90
Rot. Bonds5

About 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid

3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 108801795) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID108801795
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NC(CO)C(=O)O)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C17H16N4O4/c1-10-12(16(23)20-14(9-22)17(24)25)8-18-21(10)15-7-6-11-4-2-3-5-13(11)19-15/h2-8,14,22H,9H2,1H3,(H,20,23)(H,24,25)
InChIKeyQJQPZFUZJJFOGO-UHFFFAOYSA-N
XLogP0.90
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788899
5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810873
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801774
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801856
5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide
CID 108788903
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 108801795) is 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid is Cc1c(C(=O)NC(CO)C(=O)O)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is QJQPZFUZJJFOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-12(16(23)20-14(9-22)17(24)25)8-18-21(10)15-7-6-11-4-2-3-5-13(11)19-15/h2-8,14,22H,9H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 340.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 108801795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).