5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid

C18H20N4O3 — CID 3162704

IUPAC5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
SMILESCCn1nc(NC(=O)CCCC(=O)O)c2cc3cccc(C)c3nc21
InChIInChI=1S/C18H20N4O3/c1-3-22-18-13(10-12-7-4-6-11(2)16(12)20-18)17(21-22)19-14(23)8-5-9-15(24)25/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,24,25)(H,19,21,23)
InChIKeySZWRRRYKPUHHLT-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.11
Rot. Bonds6

About 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid

5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid (PubChem CID 3162704) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
PubChem CID3162704
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
SMILESCCn1nc(NC(=O)CCCC(=O)O)c2cc3cccc(C)c3nc21
InChIInChI=1S/C18H20N4O3/c1-3-22-18-13(10-12-7-4-6-11(2)16(12)20-18)17(21-22)19-14(23)8-5-9-15(24)25/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,24,25)(H,19,21,23)
InChIKeySZWRRRYKPUHHLT-UHFFFAOYSA-N
XLogP3.11
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 942196
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195
2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 17101011
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 664497
5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
CID 7258209
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1401425
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)-4-nitrobenzamide
CID 1422648
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide
CID 4903236
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
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258197

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid (CID 3162704) is 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid is CCn1nc(NC(=O)CCCC(=O)O)c2cc3cccc(C)c3nc21.
What is the InChIKey of 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is SZWRRRYKPUHHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-22-18-13(10-12-7-4-6-11(2)16(12)20-18)17(21-22)19-14(23)8-5-9-15(24)25/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,24,25)(H,19,21,23).
What are the key properties of 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid?
5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 3162704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).