4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C20H19FN4O — CID 141107442

IUPAC4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCCCNc1nc2ccccc2c2[nH]n(-c3ccc(F)cc3)c(=O)c12
InChIInChI=1S/C20H19FN4O/c1-2-3-12-22-19-17-18(15-6-4-5-7-16(15)23-19)24-25(20(17)26)14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,23)
InChIKeyMIPIICZOSSGWBH-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.22
Rot. Bonds5

About 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 141107442) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID141107442
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCCCNc1nc2ccccc2c2[nH]n(-c3ccc(F)cc3)c(=O)c12
InChIInChI=1S/C20H19FN4O/c1-2-3-12-22-19-17-18(15-6-4-5-7-16(15)23-19)24-25(20(17)26)14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,23)
InChIKeyMIPIICZOSSGWBH-UHFFFAOYSA-N
XLogP4.22
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(butylamino)-2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 141107443
4-(butylamino)-2-(3-fluorophenyl)-1H-benzo[g]indazol-3-one
CID 122499738
2-[(1S)-1-(butylamino)ethyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 7481861
6-(butylamino)-8-fluorothiochromeno[2,3-c]quinolin-12-one
CID 161026331
4-[3-oxo-4-(2,4,5-trifluorophenyl)-1H-pyrazolo[4,3-c]quinolin-2-yl]benzoic acid
CID 58601134
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
2-(pentylamino)-3,1-benzoxazin-4-one
CID 72702661
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
ethyl 3-amino-4-(butylamino)thieno[3,2-c]quinoline-2-carboxylate
CID 11163711
5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione
CID 10851116
2-(heptylamino)-3,1-benzoxazin-4-one
CID 54169928
4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde
CID 89093252

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 141107442) is 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is CCCCNc1nc2ccccc2c2[nH]n(-c3ccc(F)cc3)c(=O)c12.
What is the InChIKey of 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is MIPIICZOSSGWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-3-12-22-19-17-18(15-6-4-5-7-16(15)23-19)24-25(20(17)26)14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,23).
What are the key properties of 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 350.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 141107442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).