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

C15H16N4O — CID 664497

IUPACN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
SMILESCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12
InChIInChI=1S/C15H16N4O/c1-4-12(20)16-14-11-8-10-7-5-6-9(2)13(10)17-15(11)19(3)18-14/h5-8H,4H2,1-3H3,(H,16,18,20)
InChIKeyXRGUCZQJNYDYCA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.78
Rot. Bonds2

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

N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide (PubChem CID 664497) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
PubChem CID664497
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
SMILESCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12
InChIInChI=1S/C15H16N4O/c1-4-12(20)16-14-11-8-10-7-5-6-9(2)13(10)17-15(11)19(3)18-14/h5-8H,4H2,1-3H3,(H,16,18,20)
InChIKeyXRGUCZQJNYDYCA-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 942196
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 943803
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195
5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
CID 3162704
2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 17101011
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1401425
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 937036
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1399895
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 944098
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide
CID 4903236
N-[1-(propanoylamino)isoquinolin-3-yl]propanamide
CID 69038931

Frequently Asked Questions

What is the IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide?
The IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide (CID 664497) is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide.
What is the SMILES notation for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide?
The canonical SMILES for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide is CCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12.
What is the InChIKey of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide?
The InChIKey is XRGUCZQJNYDYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-4-12(20)16-14-11-8-10-7-5-6-9(2)13(10)17-15(11)19(3)18-14/h5-8H,4H2,1-3H3,(H,16,18,20).
What are the key properties of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide?
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide has a molecular weight of 268.32 g/mol, XLogP of 2.78, 2 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)propanamide is sourced from PubChem (CID 664497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).