4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide

C18H18N4O3 — CID 54680638

IUPAC4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-11(2)10-22-13-6-4-3-5-12(13)16(23)15(18(22)25)17(24)21-14-9-19-7-8-20-14/h3-9,11,23H,10H2,1-2H3,(H,20,21,24)
InChIKeyCGCYUIPCYFRWEY-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.41
Rot. Bonds4

About 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide

4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide (PubChem CID 54680638) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
PubChem CID54680638
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-11(2)10-22-13-6-4-3-5-12(13)16(23)15(18(22)25)17(24)21-14-9-19-7-8-20-14/h3-9,11,23H,10H2,1-2H3,(H,20,21,24)
InChIKeyCGCYUIPCYFRWEY-UHFFFAOYSA-N
XLogP2.41
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide (CID 54680638) is 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The InChIKey is CGCYUIPCYFRWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(2)10-22-13-6-4-3-5-12(13)16(23)15(18(22)25)17(24)21-14-9-19-7-8-20-14/h3-9,11,23H,10H2,1-2H3,(H,20,21,24).
What are the key properties of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54680638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).