N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide

C15H16N4O — CID 937036

IUPACN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
SMILESCCC(=O)Nc1nn(CC)c2nc3ccccc3cc12
InChIInChI=1S/C15H16N4O/c1-3-13(20)17-14-11-9-10-7-5-6-8-12(10)16-15(11)19(4-2)18-14/h5-9H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyZFHMHQBKLKWVRP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.95
Rot. Bonds3

About N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide (PubChem CID 937036) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
PubChem CID937036
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
SMILESCCC(=O)Nc1nn(CC)c2nc3ccccc3cc12
InChIInChI=1S/C15H16N4O/c1-3-13(20)17-14-11-9-10-7-5-6-8-12(10)16-15(11)19(4-2)18-14/h5-9H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyZFHMHQBKLKWVRP-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
CID 7258209
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 938534
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101128
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide
CID 4903104
N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
CID 932804
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258197
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2005196
4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2018838
4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588
1-ethylpyrazolo[3,4-b]quinolin-3-amine
CID 97057381
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide?
The IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide (CID 937036) is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide.
What is the SMILES notation for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide?
The canonical SMILES for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide is CCC(=O)Nc1nn(CC)c2nc3ccccc3cc12.
What is the InChIKey of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide?
The InChIKey is ZFHMHQBKLKWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-13(20)17-14-11-9-10-7-5-6-8-12(10)16-15(11)19(4-2)18-14/h5-9H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide?
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide has a molecular weight of 268.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide is sourced from PubChem (CID 937036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).