4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde

C23H14N4O3 — CID 89093252

IUPAC4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde
SMILESO=Cc1ccc(-n2[nH]c3c(c(-c4ccc(N=O)cc4)nc4ccccc43)c2=O)cc1
InChIInChI=1S/C23H14N4O3/c28-13-14-5-11-17(12-6-14)27-23(29)20-21(15-7-9-16(26-30)10-8-15)24-19-4-2-1-3-18(19)22(20)25-27/h1-13,25H
InChIKeyIJCLTYSNVQPHPV-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.74
Rot. Bonds4

About 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde

4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde (PubChem CID 89093252) has the molecular formula C23H14N4O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde
PubChem CID89093252
Molecular FormulaC23H14N4O3
Molecular Weight394.39 g/mol
Exact Mass394.11
IUPAC Name4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde
SMILESO=Cc1ccc(-n2[nH]c3c(c(-c4ccc(N=O)cc4)nc4ccccc43)c2=O)cc1
InChIInChI=1S/C23H14N4O3/c28-13-14-5-11-17(12-6-14)27-23(29)20-21(15-7-9-16(26-30)10-8-15)24-19-4-2-1-3-18(19)22(20)25-27/h1-13,25H
InChIKeyIJCLTYSNVQPHPV-UHFFFAOYSA-N
XLogP4.74
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[3-oxo-4-(2,4,5-trifluorophenyl)-1H-pyrazolo[4,3-c]quinolin-2-yl]benzoic acid
CID 58601134
5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione
CID 10851116
4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 141107442
4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one
CID 139222390
2-(4-methoxyphenyl)-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 136624325
5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
CID 135691152
3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 136621912
4-(butylamino)-2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 141107443
2-methyl-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinazolin-4-one
CID 23350657
3-[4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]propanoic acid
CID 136654416
4-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]benzaldehyde
CID 136713861
4-[6-(4-formylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]benzaldehyde
CID 164530435

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde?
The IUPAC name of 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde (CID 89093252) is 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde.
What is the SMILES notation for 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde?
The canonical SMILES for 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde is O=Cc1ccc(-n2[nH]c3c(c(-c4ccc(N=O)cc4)nc4ccccc43)c2=O)cc1.
What is the InChIKey of 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde?
The InChIKey is IJCLTYSNVQPHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O3/c28-13-14-5-11-17(12-6-14)27-23(29)20-21(15-7-9-16(26-30)10-8-15)24-19-4-2-1-3-18(19)22(20)25-27/h1-13,25H.
What are the key properties of 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde?
4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde has a molecular weight of 394.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde is sourced from PubChem (CID 89093252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).