N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide

C20H20N4O2S — CID 665522

IUPACN-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21
InChIInChI=1S/C20H20N4O2S/c1-3-4-9-24-19-15(12-13-11-14(26-2)7-8-16(13)21-19)18(23-24)22-20(25)17-6-5-10-27-17/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,23,25)
InChIKeyUHPDUCVWPKCZPL-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.71
Rot. Bonds6

About N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide

N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide (PubChem CID 665522) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide
PubChem CID665522
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21
InChIInChI=1S/C20H20N4O2S/c1-3-4-9-24-19-15(12-13-11-14(26-2)7-8-16(13)21-19)18(23-24)22-20(25)17-6-5-10-27-17/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,23,25)
InChIKeyUHPDUCVWPKCZPL-UHFFFAOYSA-N
XLogP4.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide (CID 665522) is N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide is CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21.
What is the InChIKey of N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The InChIKey is UHPDUCVWPKCZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-4-9-24-19-15(12-13-11-14(26-2)7-8-16(13)21-19)18(23-24)22-20(25)17-6-5-10-27-17/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,23,25).
What are the key properties of N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide?
N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 665522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).