N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide

C17H20N4O — CID 1414936

IUPACN-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide
SMILESCCCC(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12
InChIInChI=1S/C17H20N4O/c1-4-6-15(22)19-16-13-10-12-9-11(3)7-8-14(12)18-17(13)21(5-2)20-16/h7-10H,4-6H2,1-3H3,(H,19,20,22)
InChIKeyFWFLOTMHWFRSJM-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.65
Rot. Bonds4

About N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide

N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide (PubChem CID 1414936) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide
PubChem CID1414936
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide
SMILESCCCC(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12
InChIInChI=1S/C17H20N4O/c1-4-6-15(22)19-16-13-10-12-9-11(3)7-8-14(12)18-17(13)21(5-2)20-16/h7-10H,4-6H2,1-3H3,(H,19,20,22)
InChIKeyFWFLOTMHWFRSJM-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide?
The IUPAC name of N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide (CID 1414936) is N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide.
What is the SMILES notation for N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide?
The canonical SMILES for N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide is CCCC(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12.
What is the InChIKey of N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide?
The InChIKey is FWFLOTMHWFRSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-6-15(22)19-16-13-10-12-9-11(3)7-8-14(12)18-17(13)21(5-2)20-16/h7-10H,4-6H2,1-3H3,(H,19,20,22).
What are the key properties of N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide?
N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide has a molecular weight of 296.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)butanamide is sourced from PubChem (CID 1414936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).