2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid

C16H15N3O2 — CID 1231783

IUPAC2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)c3ccccc3n2)c(C)n1
InChIInChI=1S/C16H15N3O2/c1-3-19-9-13(10(2)18-19)15-8-12(16(20)21)11-6-4-5-7-14(11)17-15/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyMUHQKDHCLHCDHZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.12
Rot. Bonds3

About 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid

2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid (PubChem CID 1231783) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid
PubChem CID1231783
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)c3ccccc3n2)c(C)n1
InChIInChI=1S/C16H15N3O2/c1-3-19-9-13(10(2)18-19)15-8-12(16(20)21)11-6-4-5-7-14(11)17-15/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyMUHQKDHCLHCDHZ-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid (CID 1231783) is 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid is CCn1cc(-c2cc(C(=O)O)c3ccccc3n2)c(C)n1.
What is the InChIKey of 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid?
The InChIKey is MUHQKDHCLHCDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-19-9-13(10(2)18-19)15-8-12(16(20)21)11-6-4-5-7-14(11)17-15/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid?
2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 1231783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).