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

C25H19FN4O3 — CID 53132457

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NCc5ccc(F)cc5)cc43)c2=O)cc1
InChIInChI=1S/C25H19FN4O3/c1-33-19-9-7-18(8-10-19)30-25(32)21-14-27-22-11-4-16(12-20(22)23(21)29-30)24(31)28-13-15-2-5-17(26)6-3-15/h2-12,14,29H,13H2,1H3,(H,28,31)
InChIKeyNGEBLDXVWLNYTH-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.94
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132457) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132457
Molecular FormulaC25H19FN4O3
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NCc5ccc(F)cc5)cc43)c2=O)cc1
InChIInChI=1S/C25H19FN4O3/c1-33-19-9-7-18(8-10-19)30-25(32)21-14-27-22-11-4-16(12-20(22)23(21)29-30)24(31)28-13-15-2-5-17(26)6-3-15/h2-12,14,29H,13H2,1H3,(H,28,31)
InChIKeyNGEBLDXVWLNYTH-UHFFFAOYSA-N
XLogP3.94
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132461
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132415
N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132434
4-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carbonyl]amino]benzenesulfonic acid
CID 53132376
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-benzyl-3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
CID 22021872
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132457) is N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is COc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NCc5ccc(F)cc5)cc43)c2=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is NGEBLDXVWLNYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c1-33-19-9-7-18(8-10-19)30-25(32)21-14-27-22-11-4-16(12-20(22)23(21)29-30)24(31)28-13-15-2-5-17(26)6-3-15/h2-12,14,29H,13H2,1H3,(H,28,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).