5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid

C15H17N3O3 — CID 136968295

IUPAC5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCN1CCCc2c1ccc(-c1cc(C(=O)O)nn1C)c2O
InChIInChI=1S/C15H17N3O3/c1-17-7-3-4-9-12(17)6-5-10(14(9)19)13-8-11(15(20)21)16-18(13)2/h5-6,8,19H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyAKCKLDVZMVMWEC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.87
Rot. Bonds2

About 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid

5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 136968295) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID136968295
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCN1CCCc2c1ccc(-c1cc(C(=O)O)nn1C)c2O
InChIInChI=1S/C15H17N3O3/c1-17-7-3-4-9-12(17)6-5-10(14(9)19)13-8-11(15(20)21)16-18(13)2/h5-6,8,19H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyAKCKLDVZMVMWEC-UHFFFAOYSA-N
XLogP1.87
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid (CID 136968295) is 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid is CN1CCCc2c1ccc(-c1cc(C(=O)O)nn1C)c2O.
What is the InChIKey of 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is AKCKLDVZMVMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-7-3-4-9-12(17)6-5-10(14(9)19)13-8-11(15(20)21)16-18(13)2/h5-6,8,19H,3-4,7H2,1-2H3,(H,20,21).
What are the key properties of 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid?
5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 136968295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).