3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide

C19H24N4O — CID 938534

IUPAC3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12
InChIInChI=1S/C19H24N4O/c1-12(2)9-17(24)21-18-15-10-14-7-5-6-8-16(14)20-19(15)23(22-18)11-13(3)4/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,22,24)
InChIKeyNPQLSMFUAVCGQY-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.23
Rot. Bonds5

About 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide

3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide (PubChem CID 938534) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
PubChem CID938534
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12
InChIInChI=1S/C19H24N4O/c1-12(2)9-17(24)21-18-15-10-14-7-5-6-8-16(14)20-19(15)23(22-18)11-13(3)4/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,22,24)
InChIKeyNPQLSMFUAVCGQY-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 937036
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2005196
N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
CID 932804
4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2018838
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337
5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
CID 7258209
3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1414949
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide
CID 4903104
2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1402366
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1397929
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1399895

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide (CID 938534) is 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide is CC(C)CC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12.
What is the InChIKey of 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide?
The InChIKey is NPQLSMFUAVCGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12(2)9-17(24)21-18-15-10-14-7-5-6-8-16(14)20-19(15)23(22-18)11-13(3)4/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,22,24).
What are the key properties of 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide?
3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide has a molecular weight of 324.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide is sourced from PubChem (CID 938534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).