3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid

C14H13N3O3 — CID 82306077

IUPAC3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
SMILESCN1C(=O)CCc2cc(-c3cc(C(=O)O)[nH]n3)ccc21
InChIInChI=1S/C14H13N3O3/c1-17-12-4-2-8(6-9(12)3-5-13(17)18)10-7-11(14(19)20)16-15-10/h2,4,6-7H,3,5H2,1H3,(H,15,16)(H,19,20)
InChIKeyXMHZJIFICIOTKZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.68
Rot. Bonds2

About 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid

3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82306077) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID82306077
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
SMILESCN1C(=O)CCc2cc(-c3cc(C(=O)O)[nH]n3)ccc21
InChIInChI=1S/C14H13N3O3/c1-17-12-4-2-8(6-9(12)3-5-13(17)18)10-7-11(14(19)20)16-15-10/h2,4,6-7H,3,5H2,1H3,(H,15,16)(H,19,20)
InChIKeyXMHZJIFICIOTKZ-UHFFFAOYSA-N
XLogP1.68
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82390931
6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
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6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
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6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116970301
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CID 117329834
3-[4-(1-methylazetidin-3-yl)phenyl]-1H-pyrazole-5-carboxylic acid
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3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
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3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
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1,6-dimethyl-3,4-dihydroquinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid (CID 82306077) is 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid is CN1C(=O)CCc2cc(-c3cc(C(=O)O)[nH]n3)ccc21.
What is the InChIKey of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is XMHZJIFICIOTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-12-4-2-8(6-9(12)3-5-13(17)18)10-7-11(14(19)20)16-15-10/h2,4,6-7H,3,5H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid?
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82306077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).