3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide

C20H19N5O2 — CID 99947261

IUPAC3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESO=C1CNc2ccc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2N1
InChIInChI=1S/C20H19N5O2/c26-19-12-21-16-8-7-15(11-17(16)23-19)20(27)24-18(13-25-10-4-9-22-25)14-5-2-1-3-6-14/h1-11,18,21H,12-13H2,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyXCENRQOYZANCEN-GOSISDBHSA-N
MW361.41 g/mol
LogP2.42
Rot. Bonds5

About 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide

3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 99947261) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID99947261
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESO=C1CNc2ccc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2N1
InChIInChI=1S/C20H19N5O2/c26-19-12-21-16-8-7-15(11-17(16)23-19)20(27)24-18(13-25-10-4-9-22-25)14-5-2-1-3-6-14/h1-11,18,21H,12-13H2,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyXCENRQOYZANCEN-GOSISDBHSA-N
XLogP2.42
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 50973724
2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
CID 77094542
3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
CID 97129988
N-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 58916400
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97137368
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CID 97189860
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989
3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 70770272
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
2,4-dimethyl-5-[(1-phenyl-2-pyrazol-1-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 131917525
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 99947261) is 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide is O=C1CNc2ccc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2N1.
What is the InChIKey of 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is XCENRQOYZANCEN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-19-12-21-16-8-7-15(11-17(16)23-19)20(27)24-18(13-25-10-4-9-22-25)14-5-2-1-3-6-14/h1-11,18,21H,12-13H2,(H,23,26)(H,24,27)/t18-/m1/s1.
What are the key properties of 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide?
3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 99947261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).