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

C19H18N4OS — CID 662537

IUPACN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
InChIInChI=1S/C19H18N4OS/c1-2-3-10-23-18-14(12-13-7-4-5-8-15(13)20-18)17(22-23)21-19(24)16-9-6-11-25-16/h4-9,11-12H,2-3,10H2,1H3,(H,21,22,24)
InChIKeySTARTUSEPHAJAL-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.70
Rot. Bonds5

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

N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide (PubChem CID 662537) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
PubChem CID662537
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
InChIInChI=1S/C19H18N4OS/c1-2-3-10-23-18-14(12-13-7-4-5-8-15(13)20-18)17(22-23)21-19(24)16-9-6-11-25-16/h4-9,11-12H,2-3,10H2,1H3,(H,21,22,24)
InChIKeySTARTUSEPHAJAL-UHFFFAOYSA-N
XLogP4.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide (CID 662537) is N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide is CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The InChIKey is STARTUSEPHAJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-2-3-10-23-18-14(12-13-7-4-5-8-15(13)20-18)17(22-23)21-19(24)16-9-6-11-25-16/h4-9,11-12H,2-3,10H2,1H3,(H,21,22,24).
What are the key properties of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.70, 5 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)thiophene-2-carboxamide is sourced from PubChem (CID 662537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).