3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide

C19H15N5O2 — CID 167797293

IUPAC3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1ccc2ncc(=O)[nH]c2c1
InChIInChI=1S/C19H15N5O2/c25-18-11-20-16-6-5-14(10-17(16)23-18)19(26)22-15-4-1-3-13(9-15)12-24-8-2-7-21-24/h1-11H,12H2,(H,22,26)(H,23,25)
InChIKeyGJCIGZOFQVQROV-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.42
Rot. Bonds4

About 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide

3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide (PubChem CID 167797293) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
PubChem CID167797293
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1ccc2ncc(=O)[nH]c2c1
InChIInChI=1S/C19H15N5O2/c25-18-11-20-16-6-5-14(10-17(16)23-18)19(26)22-15-4-1-3-13(9-15)12-24-8-2-7-21-24/h1-11H,12H2,(H,22,26)(H,23,25)
InChIKeyGJCIGZOFQVQROV-UHFFFAOYSA-N
XLogP2.42
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide?
The IUPAC name of 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide (CID 167797293) is 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)c1ccc2ncc(=O)[nH]c2c1.
What is the InChIKey of 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide?
The InChIKey is GJCIGZOFQVQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18-11-20-16-6-5-14(10-17(16)23-18)19(26)22-15-4-1-3-13(9-15)12-24-8-2-7-21-24/h1-11H,12H2,(H,22,26)(H,23,25).
What are the key properties of 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide?
3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 167797293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).