N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide

C18H22N4O2 — CID 1414939

IUPACN-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide
SMILESCCCn1nc(NC(=O)C(C)C)c2cc3cc(OC)ccc3nc21
InChIInChI=1S/C18H22N4O2/c1-5-8-22-17-14(16(21-22)20-18(23)11(2)3)10-12-9-13(24-4)6-7-15(12)19-17/h6-7,9-11H,5,8H2,1-4H3,(H,20,21,23)
InChIKeyCJYLCDIGUMBCSK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.60
Rot. Bonds5

About N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide

N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide (PubChem CID 1414939) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide
PubChem CID1414939
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide
SMILESCCCn1nc(NC(=O)C(C)C)c2cc3cc(OC)ccc3nc21
InChIInChI=1S/C18H22N4O2/c1-5-8-22-17-14(16(21-22)20-18(23)11(2)3)10-12-9-13(24-4)6-7-15(12)19-17/h6-7,9-11H,5,8H2,1-4H3,(H,20,21,23)
InChIKeyCJYLCDIGUMBCSK-UHFFFAOYSA-N
XLogP3.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide?
The IUPAC name of N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide (CID 1414939) is N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide is CCCn1nc(NC(=O)C(C)C)c2cc3cc(OC)ccc3nc21.
What is the InChIKey of N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide?
The InChIKey is CJYLCDIGUMBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-5-8-22-17-14(16(21-22)20-18(23)11(2)3)10-12-9-13(24-4)6-7-15(12)19-17/h6-7,9-11H,5,8H2,1-4H3,(H,20,21,23).
What are the key properties of N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide?
N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylpropanamide is sourced from PubChem (CID 1414939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).