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

C25H27FN4O2 — CID 56594893

IUPAC2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C25H27FN4O2/c1-4-14-28(15-5-2)22(31)16-29-24-23(17(3)20-8-6-7-9-21(20)27-24)25(32)30(29)19-12-10-18(26)11-13-19/h6-13H,4-5,14-16H2,1-3H3
InChIKeyZUXCLQMVRWSWCK-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.44
Rot. Bonds7

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

2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide (PubChem CID 56594893) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide
PubChem CID56594893
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C25H27FN4O2/c1-4-14-28(15-5-2)22(31)16-29-24-23(17(3)20-8-6-7-9-21(20)27-24)25(32)30(29)19-12-10-18(26)11-13-19/h6-13H,4-5,14-16H2,1-3H3
InChIKeyZUXCLQMVRWSWCK-UHFFFAOYSA-N
XLogP4.44
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide (CID 56594893) is 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide?
The InChIKey is ZUXCLQMVRWSWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-4-14-28(15-5-2)22(31)16-29-24-23(17(3)20-8-6-7-9-21(20)27-24)25(32)30(29)19-12-10-18(26)11-13-19/h6-13H,4-5,14-16H2,1-3H3.
What are the key properties of 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide?
2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide has a molecular weight of 434.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 56594893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).