4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate

C18H19N4O3- — CID 7258195

IUPAC4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
SMILESCCCn1nc(NC(=O)CCC(=O)[O-])c2cc3cccc(C)c3nc21
InChIInChI=1S/C18H20N4O3/c1-3-9-22-18-13(10-12-6-4-5-11(2)16(12)20-18)17(21-22)19-14(23)7-8-15(24)25/h4-6,10H,3,7-9H2,1-2H3,(H,24,25)(H,19,21,23)/p-1
InChIKeyBJHUFCZADXMWHC-UHFFFAOYSA-M
MW339.38 g/mol
LogP1.77
Rot. Bonds6

About 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate

4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate (PubChem CID 7258195) has the molecular formula C18H19N4O3- and a molecular weight of 339.38 g/mol. Its IUPAC name is 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
PubChem CID7258195
Molecular FormulaC18H19N4O3-
Molecular Weight339.38 g/mol
Exact Mass339.15
IUPAC Name4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
SMILESCCCn1nc(NC(=O)CCC(=O)[O-])c2cc3cccc(C)c3nc21
InChIInChI=1S/C18H20N4O3/c1-3-9-22-18-13(10-12-6-4-5-11(2)16(12)20-18)17(21-22)19-14(23)7-8-15(24)25/h4-6,10H,3,7-9H2,1-2H3,(H,24,25)(H,19,21,23)/p-1
InChIKeyBJHUFCZADXMWHC-UHFFFAOYSA-M
XLogP1.77
TPSA99.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate with MolForge

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Related Compounds

N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 942196
5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
CID 3162704
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1401425
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 664497
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258197
2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 17101011
5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
CID 7258209
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-nitrobenzenesulfonamide
CID 4899380
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

Frequently Asked Questions

What is the IUPAC name of 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate?
The IUPAC name of 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate (CID 7258195) is 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate.
What is the SMILES notation for 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate?
The canonical SMILES for 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate is CCCn1nc(NC(=O)CCC(=O)[O-])c2cc3cccc(C)c3nc21.
What is the InChIKey of 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate?
The InChIKey is BJHUFCZADXMWHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20N4O3/c1-3-9-22-18-13(10-12-6-4-5-11(2)16(12)20-18)17(21-22)19-14(23)7-8-15(24)25/h4-6,10H,3,7-9H2,1-2H3,(H,24,25)(H,19,21,23)/p-1.
What are the key properties of 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate?
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate has a molecular weight of 339.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 7258195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).