2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid

C14H10N4O3 — CID 64781781

IUPAC2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid
SMILESNC(=O)c1cnn(-c2ccc3c(C(=O)O)cccc3n2)c1
InChIInChI=1S/C14H10N4O3/c15-13(19)8-6-16-18(7-8)12-5-4-9-10(14(20)21)2-1-3-11(9)17-12/h1-7H,(H2,15,19)(H,20,21)
InChIKeyBYHGWWXTQHEJFD-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.22
Rot. Bonds3

About 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid

2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid (PubChem CID 64781781) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid
PubChem CID64781781
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid
SMILESNC(=O)c1cnn(-c2ccc3c(C(=O)O)cccc3n2)c1
InChIInChI=1S/C14H10N4O3/c15-13(19)8-6-16-18(7-8)12-5-4-9-10(14(20)21)2-1-3-11(9)17-12/h1-7H,(H2,15,19)(H,20,21)
InChIKeyBYHGWWXTQHEJFD-UHFFFAOYSA-N
XLogP1.22
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid?
The IUPAC name of 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid (CID 64781781) is 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid.
What is the SMILES notation for 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid?
The canonical SMILES for 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid is NC(=O)c1cnn(-c2ccc3c(C(=O)O)cccc3n2)c1.
What is the InChIKey of 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid?
The InChIKey is BYHGWWXTQHEJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-13(19)8-6-16-18(7-8)12-5-4-9-10(14(20)21)2-1-3-11(9)17-12/h1-7H,(H2,15,19)(H,20,21).
What are the key properties of 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid?
2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid is sourced from PubChem (CID 64781781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).