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

C19H20N4O3 — CID 54693585

IUPAC4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-2-3-6-11-23-14-8-5-4-7-13(14)17(24)16(19(23)26)18(25)22-15-12-20-9-10-21-15/h4-5,7-10,12,24H,2-3,6,11H2,1H3,(H,21,22,25)
InChIKeyTWBBAPGQSWOGQU-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.94
Rot. Bonds6

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

4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide (PubChem CID 54693585) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide
PubChem CID54693585
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-2-3-6-11-23-14-8-5-4-7-13(14)17(24)16(19(23)26)18(25)22-15-12-20-9-10-21-15/h4-5,7-10,12,24H,2-3,6,11H2,1H3,(H,21,22,25)
InChIKeyTWBBAPGQSWOGQU-UHFFFAOYSA-N
XLogP2.94
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide (CID 54693585) is 4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide?
The InChIKey is TWBBAPGQSWOGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-3-6-11-23-14-8-5-4-7-13(14)17(24)16(19(23)26)18(25)22-15-12-20-9-10-21-15/h4-5,7-10,12,24H,2-3,6,11H2,1H3,(H,21,22,25).
What are the key properties of 4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide?
4-hydroxy-2-oxo-1-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.94, 6 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-pentyl-N-pyrazin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54693585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).