4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

C18H14N4O2 — CID 45270307

IUPAC4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C18H14N4O2/c23-17(20-11-12-5-7-19-8-6-12)13-3-4-15-14(10-13)21-18(24)16-2-1-9-22(15)16/h1-10H,11H2,(H,20,23)(H,21,24)
InChIKeyPJGDESUDTQSVBS-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.11
Rot. Bonds3

About 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (PubChem CID 45270307) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
PubChem CID45270307
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C18H14N4O2/c23-17(20-11-12-5-7-19-8-6-12)13-3-4-15-14(10-13)21-18(24)16-2-1-9-22(15)16/h1-10H,11H2,(H,20,23)(H,21,24)
InChIKeyPJGDESUDTQSVBS-UHFFFAOYSA-N
XLogP2.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The IUPAC name of 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (CID 45270307) is 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The canonical SMILES for 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is O=C(NCc1ccncc1)c1ccc2c(c1)[nH]c(=O)c1cccn12.
What is the InChIKey of 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The InChIKey is PJGDESUDTQSVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(20-11-12-5-7-19-8-6-12)13-3-4-15-14(10-13)21-18(24)16-2-1-9-22(15)16/h1-10H,11H2,(H,20,23)(H,21,24).
What are the key properties of 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(pyridin-4-ylmethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 45270307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).