4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate

C17H17N4O3- — CID 7258197

IUPAC4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
SMILESCCn1nc(NC(=O)CCC(=O)[O-])c2cc3cc(C)ccc3nc21
InChIInChI=1S/C17H18N4O3/c1-3-21-17-12(9-11-8-10(2)4-5-13(11)18-17)16(20-21)19-14(22)6-7-15(23)24/h4-5,8-9H,3,6-7H2,1-2H3,(H,23,24)(H,19,20,22)/p-1
InChIKeyQTZKSFGKRQBEFZ-UHFFFAOYSA-M
MW325.35 g/mol
LogP1.38
Rot. Bonds5

About 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate

4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate (PubChem CID 7258197) has the molecular formula C17H17N4O3- and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
PubChem CID7258197
Molecular FormulaC17H17N4O3-
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
SMILESCCn1nc(NC(=O)CCC(=O)[O-])c2cc3cc(C)ccc3nc21
InChIInChI=1S/C17H18N4O3/c1-3-21-17-12(9-11-8-10(2)4-5-13(11)18-17)16(20-21)19-14(22)6-7-15(23)24/h4-5,8-9H,3,6-7H2,1-2H3,(H,23,24)(H,19,20,22)/p-1
InChIKeyQTZKSFGKRQBEFZ-UHFFFAOYSA-M
XLogP1.38
TPSA99.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate with MolForge

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Related Compounds

N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
CID 932804
4-[[1-[(2R)-butan-2-yl]-6-methylpyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid
CID 7258204
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 937036
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide
CID 17101071
2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1402366
5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
CID 3162704
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 946372
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337
N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]oxolane-2-carboxamide
CID 3296264
4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
CID 4893874

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate?
The IUPAC name of 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate (CID 7258197) is 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate.
What is the SMILES notation for 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate?
The canonical SMILES for 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate is CCn1nc(NC(=O)CCC(=O)[O-])c2cc3cc(C)ccc3nc21.
What is the InChIKey of 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate?
The InChIKey is QTZKSFGKRQBEFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N4O3/c1-3-21-17-12(9-11-8-10(2)4-5-13(11)18-17)16(20-21)19-14(22)6-7-15(23)24/h4-5,8-9H,3,6-7H2,1-2H3,(H,23,24)(H,19,20,22)/p-1.
What are the key properties of 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate?
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate has a molecular weight of 325.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 7258197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).