N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C25H20N4O2 — CID 53132480

IUPACN-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)Nc5cccc(C)c5)cc43)c2=O)cc1
InChIInChI=1S/C25H20N4O2/c1-15-6-9-19(10-7-15)29-25(31)21-14-26-22-11-8-17(13-20(22)23(21)28-29)24(30)27-18-5-3-4-16(2)12-18/h3-14,28H,1-2H3,(H,27,30)
InChIKeyVRTOHABSKJAJHU-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.74
Rot. Bonds3

About N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132480) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132480
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)Nc5cccc(C)c5)cc43)c2=O)cc1
InChIInChI=1S/C25H20N4O2/c1-15-6-9-19(10-7-15)29-25(31)21-14-26-22-11-8-17(13-20(22)23(21)28-29)24(30)27-18-5-3-4-16(2)12-18/h3-14,28H,1-2H3,(H,27,30)
InChIKeyVRTOHABSKJAJHU-UHFFFAOYSA-N
XLogP4.74
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132480) is N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is Cc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)Nc5cccc(C)c5)cc43)c2=O)cc1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is VRTOHABSKJAJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-15-6-9-19(10-7-15)29-25(31)21-14-26-22-11-8-17(13-20(22)23(21)28-29)24(30)27-18-5-3-4-16(2)12-18/h3-14,28H,1-2H3,(H,27,30).
What are the key properties of N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).