4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide

C23H24N4O2 — CID 2018838

IUPAC4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1
InChIInChI=1S/C23H24N4O2/c1-4-29-18-11-9-16(10-12-18)23(28)25-21-19-13-17-7-5-6-8-20(17)24-22(19)27(26-21)14-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,25,26,28)
InChIKeyZQWMYXXXEADBGL-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.89
Rot. Bonds6

About 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide

4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide (PubChem CID 2018838) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
PubChem CID2018838
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1
InChIInChI=1S/C23H24N4O2/c1-4-29-18-11-9-16(10-12-18)23(28)25-21-19-13-17-7-5-6-8-20(17)24-22(19)27(26-21)14-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,25,26,28)
InChIKeyZQWMYXXXEADBGL-UHFFFAOYSA-N
XLogP4.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 938534
2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1397929
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1402366
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101128
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1399895
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide (CID 2018838) is 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide is CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide?
The InChIKey is ZQWMYXXXEADBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-29-18-11-9-16(10-12-18)23(28)25-21-19-13-17-7-5-6-8-20(17)24-22(19)27(26-21)14-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,25,26,28).
What are the key properties of 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide?
4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide is sourced from PubChem (CID 2018838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).