1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide

C16H14N4O3 — CID 54683757

IUPAC1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C16H14N4O3/c1-2-20-11-6-4-3-5-10(11)14(21)13(16(20)23)15(22)19-12-9-17-7-8-18-12/h3-9,21H,2H2,1H3,(H,18,19,22)
InChIKeyNLZLTPPSPXOUHZ-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.77
Rot. Bonds3

About 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide

1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide (PubChem CID 54683757) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
PubChem CID54683757
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C16H14N4O3/c1-2-20-11-6-4-3-5-10(11)14(21)13(16(20)23)15(22)19-12-9-17-7-8-18-12/h3-9,21H,2H2,1H3,(H,18,19,22)
InChIKeyNLZLTPPSPXOUHZ-UHFFFAOYSA-N
XLogP1.77
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide (CID 54683757) is 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The InChIKey is NLZLTPPSPXOUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-2-20-11-6-4-3-5-10(11)14(21)13(16(20)23)15(22)19-12-9-17-7-8-18-12/h3-9,21H,2H2,1H3,(H,18,19,22).
What are the key properties of 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54683757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).