N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide

C17H20N4O — CID 663802

IUPACN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
SMILESCCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12
InChIInChI=1S/C17H20N4O/c1-4-5-9-14(22)18-16-13-10-12-8-6-7-11(2)15(12)19-17(13)21(3)20-16/h6-8,10H,4-5,9H2,1-3H3,(H,18,20,22)
InChIKeyQJMIJTSFKLLFHZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.56
Rot. Bonds4

About N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide

N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide (PubChem CID 663802) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide.

Molecular Properties

Compound NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
PubChem CID663802
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
SMILESCCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12
InChIInChI=1S/C17H20N4O/c1-4-5-9-14(22)18-16-13-10-12-8-6-7-11(2)15(12)19-17(13)21(3)20-16/h6-8,10H,4-5,9H2,1-3H3,(H,18,20,22)
InChIKeyQJMIJTSFKLLFHZ-UHFFFAOYSA-N
XLogP3.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide?
The IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide (CID 663802) is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide.
What is the SMILES notation for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide?
The canonical SMILES for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide is CCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12.
What is the InChIKey of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide?
The InChIKey is QJMIJTSFKLLFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-5-9-14(22)18-16-13-10-12-8-6-7-11(2)15(12)19-17(13)21(3)20-16/h6-8,10H,4-5,9H2,1-3H3,(H,18,20,22).
What are the key properties of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide?
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide has a molecular weight of 296.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide is sourced from PubChem (CID 663802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).