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

C20H22N4O3 — CID 54677435

IUPAC1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C20H22N4O3/c1-2-3-4-7-12-24-15-9-6-5-8-14(15)18(25)17(20(24)27)19(26)23-16-13-21-10-11-22-16/h5-6,8-11,13,25H,2-4,7,12H2,1H3,(H,22,23,26)
InChIKeyIYRLNGUTGFBCPG-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.33
Rot. Bonds7

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

1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide (PubChem CID 54677435) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
PubChem CID54677435
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C20H22N4O3/c1-2-3-4-7-12-24-15-9-6-5-8-14(15)18(25)17(20(24)27)19(26)23-16-13-21-10-11-22-16/h5-6,8-11,13,25H,2-4,7,12H2,1H3,(H,22,23,26)
InChIKeyIYRLNGUTGFBCPG-UHFFFAOYSA-N
XLogP3.33
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.33
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 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The IUPAC name of 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide (CID 54677435) is 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide is CCCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21.
What is the InChIKey of 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The InChIKey is IYRLNGUTGFBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-3-4-7-12-24-15-9-6-5-8-14(15)18(25)17(20(24)27)19(26)23-16-13-21-10-11-22-16/h5-6,8-11,13,25H,2-4,7,12H2,1H3,(H,22,23,26).
What are the key properties of 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54677435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).