3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one

C19H17N5O2 — CID 102219110

IUPAC3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one
SMILESCc1c(Nc2nc3ccccc3[nH]c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H17N5O2/c1-12-16(19(26)24(23(12)2)13-8-4-3-5-9-13)22-17-18(25)21-15-11-7-6-10-14(15)20-17/h3-11H,1-2H3,(H,20,22)(H,21,25)
InChIKeyHFLKHGZOPSGHHR-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.46
Rot. Bonds3

About 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one

3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one (PubChem CID 102219110) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one
PubChem CID102219110
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one
SMILESCc1c(Nc2nc3ccccc3[nH]c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H17N5O2/c1-12-16(19(26)24(23(12)2)13-8-4-3-5-9-13)22-17-18(25)21-15-11-7-6-10-14(15)20-17/h3-11H,1-2H3,(H,20,22)(H,21,25)
InChIKeyHFLKHGZOPSGHHR-UHFFFAOYSA-N
XLogP2.46
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-2-phenyl-4-[[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]amino]pyrazol-3-one
CID 1349138
4-[[5-[(1,3-dimethyl-5-oxo-2-phenylpyrazol-4-yl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1401387
4-[[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-6-methyl-5-nitropyrimidin-4-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3119599
1,5-dimethyl-2-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pyrazol-3-one
CID 21004329
4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23938091
4-[(4-chloro-2-methoxy-5-oxo-2H-furan-3-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 58882845
4-[(3,5-dinitro-4-pyridinyl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 21234155
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(hydroxy-methylidene-oxo-λ6-sulfanyl)-3H-benzimidazole-5-sulfonamide
CID 157161383
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
CID 19145
4-[(2-iodo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 4993269
3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one
CID 158009297
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-3-carboxamide
CID 4555022

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one (CID 102219110) is 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one is Cc1c(Nc2nc3ccccc3[nH]c2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one?
The InChIKey is HFLKHGZOPSGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-16(19(26)24(23(12)2)13-8-4-3-5-9-13)22-17-18(25)21-15-11-7-6-10-14(15)20-17/h3-11H,1-2H3,(H,20,22)(H,21,25).
What are the key properties of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one?
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one has a molecular weight of 347.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one is sourced from PubChem (CID 102219110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).