1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one

C19H22N4O2 — CID 20867907

IUPAC1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one
SMILESCOc1ccc2nc3c(cc2c1)c(N)nn3C(=O)CCC1CCCC1
InChIInChI=1S/C19H22N4O2/c1-25-14-7-8-16-13(10-14)11-15-18(20)22-23(19(15)21-16)17(24)9-6-12-4-2-3-5-12/h7-8,10-12H,2-6,9H2,1H3,(H2,20,22)
InChIKeyZELQPVYICQQJHM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one

1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one (PubChem CID 20867907) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one
PubChem CID20867907
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one
SMILESCOc1ccc2nc3c(cc2c1)c(N)nn3C(=O)CCC1CCCC1
InChIInChI=1S/C19H22N4O2/c1-25-14-7-8-16-13(10-14)11-15-18(20)22-23(19(15)21-16)17(24)9-6-12-4-2-3-5-12/h7-8,10-12H,2-6,9H2,1H3,(H2,20,22)
InChIKeyZELQPVYICQQJHM-UHFFFAOYSA-N
XLogP3.79
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one (CID 20867907) is 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one is COc1ccc2nc3c(cc2c1)c(N)nn3C(=O)CCC1CCCC1.
What is the InChIKey of 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one?
The InChIKey is ZELQPVYICQQJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-14-7-8-16-13(10-14)11-15-18(20)22-23(19(15)21-16)17(24)9-6-12-4-2-3-5-12/h7-8,10-12H,2-6,9H2,1H3,(H2,20,22).
What are the key properties of 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one?
1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one has a molecular weight of 338.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-methoxypyrazolo[5,4-b]quinolin-1-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 20867907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).