N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide

C19H18N4OS — CID 1414959

IUPACN-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C19H18N4OS/c1-3-9-23-18-14(11-13-7-4-6-12(2)16(13)20-18)17(22-23)21-19(24)15-8-5-10-25-15/h4-8,10-11H,3,9H2,1-2H3,(H,21,22,24)
InChIKeyMVOCRONXHNPLCJ-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.62
Rot. Bonds4

About N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide

N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide (PubChem CID 1414959) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
PubChem CID1414959
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C19H18N4OS/c1-3-9-23-18-14(11-13-7-4-6-12(2)16(13)20-18)17(22-23)21-19(24)15-8-5-10-25-15/h4-8,10-11H,3,9H2,1-2H3,(H,21,22,24)
InChIKeyMVOCRONXHNPLCJ-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 2409032
US10100058, Example 105
CID 134540034
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 944850
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1402347
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
CID 1624843
3-methyl-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)butanamide
CID 1423418
N-(1,8-dimethyl-1H-pyrazolo[3,4-b]quinolin-3-yl)butyramide
CID 663685
N-(1,8-dimethyl-1H-pyrazolo[3,4-b]quinolin-3-yl)pentanamide
CID 663802
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
CID 664468
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 947170
3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11281152
N-Butyl-N'-{3-[3-(thien-2-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl}urea
CID 11676105

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide (CID 1414959) is N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide is CCCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc21.
What is the InChIKey of N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The InChIKey is MVOCRONXHNPLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-3-9-23-18-14(11-13-7-4-6-12(2)16(13)20-18)17(22-23)21-19(24)15-8-5-10-25-15/h4-8,10-11H,3,9H2,1-2H3,(H,21,22,24).
What are the key properties of N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1414959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).