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

C18H18N4O3 — CID 54690395

IUPAC1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)
InChIKeyAGNYNEXWFXSGRE-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.55
Rot. Bonds5

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

1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide (PubChem CID 54690395) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
PubChem CID54690395
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)
InChIKeyAGNYNEXWFXSGRE-UHFFFAOYSA-N
XLogP2.55
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorobenzyl)-4-hydroxy-N-((1r,4r)-4-methylcyclohexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 118735890
1-ethyl-4-hydroxy-N-(3-hydroxypyridin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54682087
1-hexyl-2-hydroxy-4-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
CID 54677435
4-Hydroxy-1-isobutyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid pyrazin-2-ylamide
CID 54680638
1-heptyl-2-hydroxy-4-oxo-N-pyrazin-2-ylquinoline-3-carboxamide
CID 54688352
2-hydroxy-N-(3-hydroxypyridin-2-yl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 54676454
1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid pyridin-2-ylamide
CID 54683759
4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684094
1-ethyl-4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684095
4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54696285
1-Benzyl-4-hydroxy-2-oxo-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic Acid Cyclohexylamide
CID 59699565
N-[(6-amino-3-pyridinyl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 151543599

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide (CID 54690395) is 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
The InChIKey is AGNYNEXWFXSGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24).
What are the key properties of 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide?
1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-oxo-N-pyrazin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54690395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).