N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide

C22H22N4O2 — CID 3829391

IUPACN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
SMILESCCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccccc3nc21
InChIInChI=1S/C22H22N4O2/c1-3-4-12-26-21-18(14-15-8-5-6-11-19(15)23-21)20(25-26)24-22(27)16-9-7-10-17(13-16)28-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,25,27)
InChIKeyVIHHYRGIXHAHJL-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.65
Rot. Bonds6

About N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide

N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide (PubChem CID 3829391) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
PubChem CID3829391
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
SMILESCCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccccc3nc21
InChIInChI=1S/C22H22N4O2/c1-3-4-12-26-21-18(14-15-8-5-6-11-19(15)23-21)20(25-26)24-22(27)16-9-7-10-17(13-16)28-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,25,27)
InChIKeyVIHHYRGIXHAHJL-UHFFFAOYSA-N
XLogP4.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
CID 1402553
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 943803
N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101068
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 70259320
5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
CID 7258209
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1390670
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide
CID 21369355
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
CID 24954488
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
CID 5113548
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide?
The IUPAC name of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide (CID 3829391) is N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide is CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide?
The InChIKey is VIHHYRGIXHAHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-4-12-26-21-18(14-15-8-5-6-11-19(15)23-21)20(25-26)24-22(27)16-9-7-10-17(13-16)28-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,25,27).
What are the key properties of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide?
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide is sourced from PubChem (CID 3829391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).