N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide

C23H25N9O2 — CID 171823285

IUPACN'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILES[H]/N=N/c1c(CN(C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)N(C)C(C)=O)cccc1NC
InChIInChI=1S/C23H25N9O2/c1-13(33)31(4)32(12-15-6-5-7-19(26-2)20(15)29-25)23(34)14-8-9-18-16(10-14)21-17(22(24)28-18)11-27-30(21)3/h5-11,25-26H,12H2,1-4H3,(H2,24,28)/b29-25+
InChIKeyXLKAXSGKTNQRBB-XLVZBRSZSA-N
MW459.51 g/mol
LogP3.44
Rot. Bonds5

About N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide

N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171823285) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
PubChem CID171823285
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC NameN'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILES[H]/N=N/c1c(CN(C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)N(C)C(C)=O)cccc1NC
InChIInChI=1S/C23H25N9O2/c1-13(33)31(4)32(12-15-6-5-7-19(26-2)20(15)29-25)23(34)14-8-9-18-16(10-14)21-17(22(24)28-18)11-27-30(21)3/h5-11,25-26H,12H2,1-4H3,(H2,24,28)/b29-25+
InChIKeyXLKAXSGKTNQRBB-XLVZBRSZSA-N
XLogP3.44
TPSA145.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823032
N'-acetyl-4-amino-N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823387
N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823292
N'-acetyl-4-amino-N-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822807
N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823036
N'-acetyl-4-amino-N-[[2-fluoro-4-(1,2-oxazol-4-yl)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823217
N'-acetyl-4-amino-N-[[2-fluoro-4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 174380830
N'-acetyl-4-amino-N',1-dimethyl-N-[[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823316
N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823472
4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822862
N'-acetyl-4-amino-N-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-7-fluoro-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823409
4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383387

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The IUPAC name of N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171823285) is N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The canonical SMILES for N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide is [H]/N=N/c1c(CN(C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)N(C)C(C)=O)cccc1NC.
What is the InChIKey of N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The InChIKey is XLKAXSGKTNQRBB-XLVZBRSZSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-13(33)31(4)32(12-15-6-5-7-19(26-2)20(15)29-25)23(34)14-8-9-18-16(10-14)21-17(22(24)28-18)11-27-30(21)3/h5-11,25-26H,12H2,1-4H3,(H2,24,28)/b29-25+.
What are the key properties of N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 459.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171823285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).