3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide

C23H24N4O — CID 1414949

IUPAC3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)c1
InChIInChI=1S/C23H24N4O/c1-14(2)13-27-22-19(12-17-9-8-16(4)11-20(17)24-22)21(26-27)25-23(28)18-7-5-6-15(3)10-18/h5-12,14H,13H2,1-4H3,(H,25,26,28)
InChIKeyJJNKNCSHYKNORL-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.11
Rot. Bonds4

About 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide

3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide (PubChem CID 1414949) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
PubChem CID1414949
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)c1
InChIInChI=1S/C23H24N4O/c1-14(2)13-27-22-19(12-17-9-8-16(4)11-20(17)24-22)21(26-27)25-23(28)18-7-5-6-15(3)10-18/h5-12,14H,13H2,1-4H3,(H,25,26,28)
InChIKeyJJNKNCSHYKNORL-UHFFFAOYSA-N
XLogP5.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 946372
2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1402366
4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2018838
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2005196
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1390670
N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101068
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101128
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565
3-methyl-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
CID 91710473
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide
CID 11989435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide (CID 1414949) is 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide is Cc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)c1.
What is the InChIKey of 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The InChIKey is JJNKNCSHYKNORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14(2)13-27-22-19(12-17-9-8-16(4)11-20(17)24-22)21(26-27)25-23(28)18-7-5-6-15(3)10-18/h5-12,14H,13H2,1-4H3,(H,25,26,28).
What are the key properties of 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide is sourced from PubChem (CID 1414949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).