N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide

C22H22N4O2 — CID 1402553

IUPACN-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
SMILESCCCn1nc(NC(=O)c2ccccc2C)c2cc3cc(OC)ccc3nc21
InChIInChI=1S/C22H22N4O2/c1-4-11-26-21-18(13-15-12-16(28-3)9-10-19(15)23-21)20(25-26)24-22(27)17-8-6-5-7-14(17)2/h5-10,12-13H,4,11H2,1-3H3,(H,24,25,27)
InChIKeyLCYDWNBRUCSYRF-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.56
Rot. Bonds5

About N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide

N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide (PubChem CID 1402553) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
PubChem CID1402553
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
SMILESCCCn1nc(NC(=O)c2ccccc2C)c2cc3cc(OC)ccc3nc21
InChIInChI=1S/C22H22N4O2/c1-4-11-26-21-18(13-15-12-16(28-3)9-10-19(15)23-21)20(25-26)24-22(27)17-8-6-5-7-14(17)2/h5-10,12-13H,4,11H2,1-3H3,(H,24,25,27)
InChIKeyLCYDWNBRUCSYRF-UHFFFAOYSA-N
XLogP4.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391
2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1402366
2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide
CID 17101071
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1390670
4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2005196
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195
potassium 6-methoxy-3-[(2-methylphenyl)carbamoyl]naphthalen-2-olate
CID 71301113
N'-(6-methoxy-3-methylquinolin-2-yl)butanehydrazide
CID 167857258
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide?
The IUPAC name of N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide (CID 1402553) is N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide.
What is the SMILES notation for N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide?
The canonical SMILES for N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide is CCCn1nc(NC(=O)c2ccccc2C)c2cc3cc(OC)ccc3nc21.
What is the InChIKey of N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide?
The InChIKey is LCYDWNBRUCSYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-11-26-21-18(13-15-12-16(28-3)9-10-19(15)23-21)20(25-26)24-22(27)17-8-6-5-7-14(17)2/h5-10,12-13H,4,11H2,1-3H3,(H,24,25,27).
What are the key properties of N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide?
N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide is sourced from PubChem (CID 1402553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).