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

C17H16N4O3 — CID 54690401

IUPAC4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C17H16N4O3/c1-2-9-21-12-6-4-3-5-11(12)15(22)14(17(21)24)16(23)20-13-10-18-7-8-19-13/h3-8,10,22H,2,9H2,1H3,(H,19,20,23)
InChIKeyDIJZRZNNQPKHLW-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.16
Rot. Bonds4

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

4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide (PubChem CID 54690401) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide
PubChem CID54690401
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C17H16N4O3/c1-2-9-21-12-6-4-3-5-11(12)15(22)14(17(21)24)16(23)20-13-10-18-7-8-19-13/h3-8,10,22H,2,9H2,1H3,(H,19,20,23)
InChIKeyDIJZRZNNQPKHLW-UHFFFAOYSA-N
XLogP2.16
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide (CID 54690401) is 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide?
The InChIKey is DIJZRZNNQPKHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-2-9-21-12-6-4-3-5-11(12)15(22)14(17(21)24)16(23)20-13-10-18-7-8-19-13/h3-8,10,22H,2,9H2,1H3,(H,19,20,23).
What are the key properties of 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide?
4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-propyl-N-pyrazin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54690401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).