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

C18H16N4OS — CID 936002

IUPACN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
InChIInChI=1S/C18H16N4OS/c1-2-9-22-17-13(11-12-6-3-4-7-14(12)19-17)16(21-22)20-18(23)15-8-5-10-24-15/h3-8,10-11H,2,9H2,1H3,(H,20,21,23)
InChIKeyBZEFKMKJXDVVLV-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.31
Rot. Bonds4

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

N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide (PubChem CID 936002) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
PubChem CID936002
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
InChIInChI=1S/C18H16N4OS/c1-2-9-22-17-13(11-12-6-3-4-7-14(12)19-17)16(21-22)20-18(23)15-8-5-10-24-15/h3-8,10-11H,2,9H2,1H3,(H,20,21,23)
InChIKeyBZEFKMKJXDVVLV-UHFFFAOYSA-N
XLogP4.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide (CID 936002) is N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide is CCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The InChIKey is BZEFKMKJXDVVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-2-9-22-17-13(11-12-6-3-4-7-14(12)19-17)16(21-22)20-18(23)15-8-5-10-24-15/h3-8,10-11H,2,9H2,1H3,(H,20,21,23).
What are the key properties of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide?
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 936002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).