3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one

C16H18N4O2 — CID 170319906

IUPAC3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(C)C1C(=O)Nc2ccccc2N1C(=O)c1cn[nH]c1
InChIInChI=1S/C16H18N4O2/c1-3-10(2)14-15(21)19-12-6-4-5-7-13(12)20(14)16(22)11-8-17-18-9-11/h4-10,14H,3H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyZSUMSXOYEMTGTO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.42
Rot. Bonds3

About 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one

3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 170319906) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID170319906
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(C)C1C(=O)Nc2ccccc2N1C(=O)c1cn[nH]c1
InChIInChI=1S/C16H18N4O2/c1-3-10(2)14-15(21)19-12-6-4-5-7-13(12)20(14)16(22)11-8-17-18-9-11/h4-10,14H,3H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyZSUMSXOYEMTGTO-UHFFFAOYSA-N
XLogP2.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-4-(1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170320096
3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
CID 170319947
2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 170568742
2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 170319971
(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 177274222
(3S)-4-benzoyl-3-[(2S)-butan-2-yl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 24730389
(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 177274145
2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 170319910
(3S)-3-[(2S)-butan-2-yl]-2-oxo-N-(1H-pyrazol-4-yl)-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163293104
(3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 170320079
(2S,3S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoic acid
CID 11920951
(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274163

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 170319906) is 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one is CCC(C)C1C(=O)Nc2ccccc2N1C(=O)c1cn[nH]c1.
What is the InChIKey of 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZSUMSXOYEMTGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-10(2)14-15(21)19-12-6-4-5-7-13(12)20(14)16(22)11-8-17-18-9-11/h4-10,14H,3H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 298.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 170319906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).