3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

C19H18N4O — CID 22320364

IUPAC3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccn2)c2nc3ccccc3c(OC(C)C)c12
InChIInChI=1S/C19H18N4O/c1-12(2)24-18-14-8-4-5-9-15(14)21-19-17(18)13(3)22-23(19)16-10-6-7-11-20-16/h4-12H,1-3H3
InChIKeyGXMIMJPIQMIIEJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.06
Rot. Bonds3

About 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (PubChem CID 22320364) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
PubChem CID22320364
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccn2)c2nc3ccccc3c(OC(C)C)c12
InChIInChI=1S/C19H18N4O/c1-12(2)24-18-14-8-4-5-9-15(14)21-19-17(18)13(3)22-23(19)16-10-6-7-11-20-16/h4-12H,1-3H3
InChIKeyGXMIMJPIQMIIEJ-UHFFFAOYSA-N
XLogP4.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The IUPAC name of 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (CID 22320364) is 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is Cc1nn(-c2ccccn2)c2nc3ccccc3c(OC(C)C)c12.
What is the InChIKey of 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The InChIKey is GXMIMJPIQMIIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12(2)24-18-14-8-4-5-9-15(14)21-19-17(18)13(3)22-23(19)16-10-6-7-11-20-16/h4-12H,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline has a molecular weight of 318.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 22320364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).