5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate

C17H17N4O3- — CID 7258209

IUPAC5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
SMILESCCn1nc(NC(=O)CCCC(=O)[O-])c2cc3ccccc3nc21
InChIInChI=1S/C17H18N4O3/c1-2-21-17-12(10-11-6-3-4-7-13(11)18-17)16(20-21)19-14(22)8-5-9-15(23)24/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,23,24)(H,19,20,22)/p-1
InChIKeyNIRGLLOKLGBHBA-UHFFFAOYSA-M
MW325.35 g/mol
LogP1.46
Rot. Bonds6

About 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate

5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate (PubChem CID 7258209) has the molecular formula C17H17N4O3- and a molecular weight of 325.35 g/mol. Its IUPAC name is 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Name5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
PubChem CID7258209
Molecular FormulaC17H17N4O3-
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
SMILESCCn1nc(NC(=O)CCCC(=O)[O-])c2cc3ccccc3nc21
InChIInChI=1S/C17H18N4O3/c1-2-21-17-12(10-11-6-3-4-7-13(11)18-17)16(20-21)19-14(22)8-5-9-15(23)24/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,23,24)(H,19,20,22)/p-1
InChIKeyNIRGLLOKLGBHBA-UHFFFAOYSA-M
XLogP1.46
TPSA99.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 937036
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258197
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide
CID 4903104
5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
CID 3162704
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101128
3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 938534
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195
4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588
N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
CID 932804
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 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate?
The IUPAC name of 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate (CID 7258209) is 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate.
What is the SMILES notation for 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate?
The canonical SMILES for 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate is CCn1nc(NC(=O)CCCC(=O)[O-])c2cc3ccccc3nc21.
What is the InChIKey of 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate?
The InChIKey is NIRGLLOKLGBHBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N4O3/c1-2-21-17-12(10-11-6-3-4-7-13(11)18-17)16(20-21)19-14(22)8-5-9-15(23)24/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,23,24)(H,19,20,22)/p-1.
What are the key properties of 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate?
5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate has a molecular weight of 325.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 7258209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).