N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide

C24H25FN4O2 — CID 56594891

IUPACN-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2/c1-4-5-14-27(3)21(30)15-28-23-22(16(2)19-8-6-7-9-20(19)26-23)24(31)29(28)18-12-10-17(25)11-13-18/h6-13H,4-5,14-15H2,1-3H3
InChIKeyYVJNYQBMGYECSZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.05
Rot. Bonds6

About N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide

N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide (PubChem CID 56594891) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide
PubChem CID56594891
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2/c1-4-5-14-27(3)21(30)15-28-23-22(16(2)19-8-6-7-9-20(19)26-23)24(31)29(28)18-12-10-17(25)11-13-18/h6-13H,4-5,14-15H2,1-3H3
InChIKeyYVJNYQBMGYECSZ-UHFFFAOYSA-N
XLogP4.05
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide with MolForge

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Related Compounds

Luotonin A
CID 10334120
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232
2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093400
2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]propyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093402
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid benzyl-methyl-amide
CID 11485632
3-(3-Methylbutyl)-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 21854624
3-Amino-6-fluoro-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 11305391
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one
CID 11464531
N-[3,5-Bis(trifluoromethyl)benzyl]-5-(4-methylphenyl)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 16755256
3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 23155667
3-Amino-7-fluoro-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 23155688

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide (CID 56594891) is N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide is CCCCN(C)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide?
The InChIKey is YVJNYQBMGYECSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-4-5-14-27(3)21(30)15-28-23-22(16(2)19-8-6-7-9-20(19)26-23)24(31)29(28)18-12-10-17(25)11-13-18/h6-13H,4-5,14-15H2,1-3H3.
What are the key properties of N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide?
N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide has a molecular weight of 420.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 56594891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).