2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide

C23H24N4O2 — CID 1402366

IUPAC2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12
InChIInChI=1S/C23H24N4O2/c1-14(2)13-27-22-18(12-16-11-15(3)9-10-19(16)24-22)21(26-27)25-23(28)17-7-5-6-8-20(17)29-4/h5-12,14H,13H2,1-4H3,(H,25,26,28)
InChIKeyUFFLLEIFMKYTTG-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.81
Rot. Bonds5

About 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide

2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide (PubChem CID 1402366) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
PubChem CID1402366
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12
InChIInChI=1S/C23H24N4O2/c1-14(2)13-27-22-18(12-16-11-15(3)9-10-19(16)24-22)21(26-27)25-23(28)17-7-5-6-8-20(17)29-4/h5-12,14H,13H2,1-4H3,(H,25,26,28)
InChIKeyUFFLLEIFMKYTTG-UHFFFAOYSA-N
XLogP4.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1397929
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2005196
3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1414949
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337
N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
CID 932804
N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
CID 1402553
3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 938534
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258197
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1399895
4-[[1-[(2R)-butan-2-yl]-6-methylpyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid
CID 7258204
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1390670

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide (CID 1402366) is 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide is COc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12.
What is the InChIKey of 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
The InChIKey is UFFLLEIFMKYTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)13-27-22-18(12-16-11-15(3)9-10-19(16)24-22)21(26-27)25-23(28)17-7-5-6-8-20(17)29-4/h5-12,14H,13H2,1-4H3,(H,25,26,28).
What are the key properties of 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide?
2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide is sourced from PubChem (CID 1402366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).